bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane

C141H201BBr4ClN33O12S8 — CID 158325209

About bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane

bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane (PubChem CID 158325209) has the molecular formula C141H201BBr4ClN33O12S8 and a molecular weight of 3172.79 g/mol. Its IUPAC name is bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane.

Molecular Properties

• Compound Name: bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane
• PubChem CID: 158325209
• Molecular Formula: C141H201BBr4ClN33O12S8
• Molecular Weight: 3172.79 g/mol
• Exact Mass: 3166.04
• IUPAC Name: bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane
• SMILES: Brc1ccncc1Br.Brc1cnccc1C1CC1.Brc1cnccc1C1CC1.C=CC(=O)Cl.OB(O)C1CC1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H44N8O3.C30H38N8O2.C28H37N7O.C24H37N7O3.2C8H8BrN.C5H3Br2N.C3H7BO2.C3H3ClO.8H2S/c1-32(2,3)43-31(41)40-16-15-39(19-24(40)17-33-4)29-26-11-14-38(28-18-34-12-10-25(28)22-8-9-22)20-27(26)35-30(36-29)42-21-23-7-6-13-37(23)5;1-4-28(39)38-15-14-37(18-23(38)16-31-2)29-25-10-13-36(27-17-32-11-9-24(27)21-7-8-21)19-26(25)33-30(34-29)40-20-22-6-5-12-35(22)3;1-29-15-20-5-3-13-35(17-20)27-24-10-14-34(26-16-30-11-9-23(26)21-7-8-21)18-25(24)31-28(32-27)36-19-22-6-4-12-33(22)2;1-24(2,3)34-23(32)31-12-11-30(15-18(31)13-25-4)21-19-8-9-26-14-20(19)27-22(28-21)33-16-17-7-6-10-29(17)5;2*9-8-5-10-4-3-7(8)6-1-2-6;6-4-1-2-8-3-5(4)7;5-4(6)3-1-2-3;1-2-3(4)5;;;;;;;;/h10,12,18,22-24H,6-9,11,13-17,19-21H2,1-3,5H3;4,9,11,17,21-23H,1,5-8,10,12-16,18-20H2,3H3;9,11,16,20-22H,3-8,10,12-15,17-19H2,2H3;17-18,26H,6-16H2,1-3,5H3;2*3-6H,1-2H2;1-3H;3,5-6H,1-2H2;2H,1H2;8*1H2/t23-,24-;22-,23-;20-,22-;17-,18-;;;;;;;;;;;;;/m0000............./s1
• InChIKey: GPIAGFMSDVIPNM-NCZVYLOXSA-N
• XLogP: 22.41
• TPSA: 419.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3172.79
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane?

The IUPAC name of bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane (CID 158325209) is bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane.

What is the SMILES notation for bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane?

The canonical SMILES for bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane is Brc1ccncc1Br.Brc1cnccc1C1CC1.Brc1cnccc1C1CC1.C=CC(=O)Cl.OB(O)C1CC1.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cnccc2C2CC2)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCNC3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane?

The InChIKey is GPIAGFMSDVIPNM-NCZVYLOXSA-N. The full InChI is InChI=1S/C32H44N8O3.C30H38N8O2.C28H37N7O.C24H37N7O3.2C8H8BrN.C5H3Br2N.C3H7BO2.C3H3ClO.8H2S/c1-32(2,3)43-31(41)40-16-15-39(19-24(40)17-33-4)29-26-11-14-38(28-18-34-12-10-25(28)22-8-9-22)20-27(26)35-30(36-29)42-21-23-7-6-13-37(23)5;1-4-28(39)38-15-14-37(18-23(38)16-31-2)29-25-10-13-36(27-17-32-11-9-24(27)21-7-8-21)19-26(25)33-30(34-29)40-20-22-6-5-12-35(22)3;1-29-15-20-5-3-13-35(17-20)27-24-10-14-34(26-16-30-11-9-23(26)21-7-8-21)18-25(24)31-28(32-27)36-19-22-6-4-12-33(22)2;1-24(2,3)34-23(32)31-12-11-30(15-18(31)13-25-4)21-19-8-9-26-14-20(19)27-22(28-21)33-16-17-7-6-10-29(17)5;2*9-8-5-10-4-3-7(8)6-1-2-6;6-4-1-2-8-3-5(4)7;5-4(6)3-1-2-3;1-2-3(4)5;;;;;;;;/h10,12,18,22-24H,6-9,11,13-17,19-21H2,1-3,5H3;4,9,11,17,21-23H,1,5-8,10,12-16,18-20H2,3H3;9,11,16,20-22H,3-8,10,12-15,17-19H2,2H3;17-18,26H,6-16H2,1-3,5H3;2*3-6H,1-2H2;1-3H;3,5-6H,1-2H2;2H,1H2;8*1H2/t23-,24-;22-,23-;20-,22-;17-,18-;;;;;;;;;;;;;/m0000............./s1.

What are the key properties of bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane?

bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane has a molecular weight of 3172.79 g/mol, XLogP of 22.41, 31 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-bromo-4-cyclopropylpyridine);tert-butyl (2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate;cyclopropylboronic acid;7-(4-cyclopropyl-3-pyridinyl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-(4-cyclopropyl-3-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;3,4-dibromopyridine;prop-2-enoyl chloride;sulfane is sourced from PubChem (CID 158325209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).