4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane

C121H191BrClN31O10S8 — CID 159849630

About 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane

4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane (PubChem CID 159849630) has the molecular formula C121H191BrClN31O10S8 and a molecular weight of 2611.96 g/mol. Its IUPAC name is 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane.

Molecular Properties

• Compound Name: 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane
• PubChem CID: 159849630
• Molecular Formula: C121H191BrClN31O10S8
• Molecular Weight: 2611.96 g/mol
• Exact Mass: 2608.20
• IUPAC Name: 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane
• SMILES: C.C.C.C.C=CC(=O)Cl.Cc1cnccc1Br.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)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/C30H42N8O3.C28H36N8O2.C26H35N7O.C24H37N7O3.C6H6BrN.C3H3ClO.4CH4.8H2S/c1-21-16-32-11-9-26(21)36-13-10-24-25(19-36)33-28(40-20-22-8-7-12-35(22)6)34-27(24)37-14-15-38(23(18-37)17-31-5)29(39)41-30(2,3)4;1-5-26(37)36-14-13-35(17-22(36)16-29-3)27-23-9-12-34(25-8-10-30-15-20(25)2)18-24(23)31-28(32-27)38-19-21-7-6-11-33(21)4;1-19-14-28-10-8-24(19)32-13-9-22-23(17-32)29-26(34-18-21-7-5-11-31(21)3)30-25(22)33-12-4-6-20(16-33)15-27-2;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;1-5-4-8-3-2-6(5)7;1-2-3(4)5;;;;;;;;;;;;/h9,11,16,22-23H,7-8,10,12-15,17-20H2,1-4,6H3;5,8,10,15,21-22H,1,6-7,9,11-14,16-19H2,2,4H3;8,10,14,20-21H,4-7,9,11-13,15-18H2,1,3H3;17-18,26H,6-16H2,1-3,5H3;2-4H,1H3;2H,1H2;4*1H4;8*1H2/t22-,23-;21-,22-;20-,21-;17-,18-;;;;;;;;;;;;;;/m0000............../s1
• InChIKey: NPTMMBHEDCONFO-UFGQUWOWSA-N
• XLogP: 17.73
• TPSA: 353.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2611.96
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane?

The IUPAC name of 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane (CID 159849630) is 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane.

What is the SMILES notation for 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane?

The canonical SMILES for 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane is C.C.C.C.C=CC(=O)Cl.Cc1cnccc1Br.S.S.S.S.S.S.S.S.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccncc2C)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 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane?

The InChIKey is NPTMMBHEDCONFO-UFGQUWOWSA-N. The full InChI is InChI=1S/C30H42N8O3.C28H36N8O2.C26H35N7O.C24H37N7O3.C6H6BrN.C3H3ClO.4CH4.8H2S/c1-21-16-32-11-9-26(21)36-13-10-24-25(19-36)33-28(40-20-22-8-7-12-35(22)6)34-27(24)37-14-15-38(23(18-37)17-31-5)29(39)41-30(2,3)4;1-5-26(37)36-14-13-35(17-22(36)16-29-3)27-23-9-12-34(25-8-10-30-15-20(25)2)18-24(23)31-28(32-27)38-19-21-7-6-11-33(21)4;1-19-14-28-10-8-24(19)32-13-9-22-23(17-32)29-26(34-18-21-7-5-11-31(21)3)30-25(22)33-12-4-6-20(16-33)15-27-2;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;1-5-4-8-3-2-6(5)7;1-2-3(4)5;;;;;;;;;;;;/h9,11,16,22-23H,7-8,10,12-15,17-20H2,1-4,6H3;5,8,10,15,21-22H,1,6-7,9,11-14,16-19H2,2,4H3;8,10,14,20-21H,4-7,9,11-13,15-18H2,1,3H3;17-18,26H,6-16H2,1-3,5H3;2-4H,1H3;2H,1H2;4*1H4;8*1H2/t22-,23-;21-,22-;20-,21-;17-,18-;;;;;;;;;;;;;;/m0000............../s1.

What are the key properties of 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane?

4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane has a molecular weight of 2611.96 g/mol, XLogP of 17.73, 25 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-methylpyridine;tert-butyl (2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]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;1-[(2R)-2-(isocyanomethyl)-4-[7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(3-methyl-4-pyridinyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;methane;prop-2-enoyl chloride;sulfane is sourced from PubChem (CID 159849630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).