tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride

C97H110ClF3N18O13S3 — CID 164984381

About tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride

tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride (PubChem CID 164984381) has the molecular formula C97H110ClF3N18O13S3 and a molecular weight of 1924.71 g/mol. Its IUPAC name is tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride
• PubChem CID: 164984381
• Molecular Formula: C97H110ClF3N18O13S3
• Molecular Weight: 1924.71 g/mol
• Exact Mass: 1922.73
• IUPAC Name: tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride
• SMILES: CC1(S(=O)(=O)Cl)CC1.Cc1cc(N)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)n1
• InChI: InChI=1S/C34H39FN6O5S.C30H33FN6O3.C29H31FN6O3S.C4H7ClO2S/c1-21-17-28(40-47(43,44)34(5)13-14-34)24-9-6-7-10-25(24)29(21)45-30-26(11-8-15-36-30)27-12-16-37-31(39-27)38-23-18-22(35)19-41(20-23)32(42)46-33(2,3)4;1-18-14-24(32)21-8-5-6-9-22(21)26(18)39-27-23(10-7-12-33-27)25-11-13-34-28(36-25)35-20-15-19(31)16-37(17-20)29(38)40-30(2,3)4;1-18-14-25(36-40(37,38)29(2)10-11-29)21-6-3-4-7-22(21)26(18)39-27-23(8-5-12-32-27)24-9-13-33-28(35-24)34-20-15-19(30)16-31-17-20;1-4(2-3-4)8(5,6)7/h6-12,15-17,22-23,40H,13-14,18-20H2,1-5H3,(H,37,38,39);5-14,19-20H,15-17,32H2,1-4H3,(H,34,35,36);3-9,12-14,19-20,31,36H,10-11,15-17H2,1-2H3,(H,33,34,35);2-3H2,1H3/t22-,23-;2*19-,20-;/m000./s1
• InChIKey: FYGJHWFTHULXGV-ZFLKCRJRSA-N
• XLogP: 19.29
• TPSA: 403.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1924.71
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride?

The IUPAC name of tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride (CID 164984381) is tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride.

What is the SMILES notation for tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride?

The canonical SMILES for tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride is CC1(S(=O)(=O)Cl)CC1.Cc1cc(N)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@@H]2CNC[C@@H](F)C2)n1.Cc1cc(NS(=O)(=O)C2(C)CC2)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2C[C@H](F)CN(C(=O)OC(C)(C)C)C2)n1.

What is the InChIKey of tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride?

The InChIKey is FYGJHWFTHULXGV-ZFLKCRJRSA-N. The full InChI is InChI=1S/C34H39FN6O5S.C30H33FN6O3.C29H31FN6O3S.C4H7ClO2S/c1-21-17-28(40-47(43,44)34(5)13-14-34)24-9-6-7-10-25(24)29(21)45-30-26(11-8-15-36-30)27-12-16-37-31(39-27)38-23-18-22(35)19-41(20-23)32(42)46-33(2,3)4;1-18-14-24(32)21-8-5-6-9-22(21)26(18)39-27-23(10-7-12-33-27)25-11-13-34-28(36-25)35-20-15-19(31)16-37(17-20)29(38)40-30(2,3)4;1-18-14-25(36-40(37,38)29(2)10-11-29)21-6-3-4-7-22(21)26(18)39-27-23(8-5-12-32-27)24-9-13-33-28(35-24)34-20-15-19(30)16-31-17-20;1-4(2-3-4)8(5,6)7/h6-12,15-17,22-23,40H,13-14,18-20H2,1-5H3,(H,37,38,39);5-14,19-20H,15-17,32H2,1-4H3,(H,34,35,36);3-9,12-14,19-20,31,36H,10-11,15-17H2,1-2H3,(H,33,34,35);2-3H2,1H3/t22-,23-;2*19-,20-;/m000./s1.

What are the key properties of tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride?

tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride has a molecular weight of 1924.71 g/mol, XLogP of 19.29, 22 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S,5S)-3-[[4-[2-(4-amino-2-methylnaphthalen-1-yl)oxy-3-pyridinyl]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-fluoro-5-[[4-[2-[2-methyl-4-[(1-methylcyclopropyl)sulfonylamino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-[4-[[3-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylnaphthalen-1-yl]-1-methylcyclopropane-1-sulfonamide;1-methylcyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 164984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).