4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide

C25H34ClF2N5O4S — CID 162168361

About 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide

4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide (PubChem CID 162168361) has the molecular formula C25H34ClF2N5O4S and a molecular weight of 574.09 g/mol. Its IUPAC name is 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
• PubChem CID: 162168361
• Molecular Formula: C25H34ClF2N5O4S
• Molecular Weight: 574.09 g/mol
• Exact Mass: 573.20
• IUPAC Name: 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
• SMILES: CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H]2CCC(F)(F)C2)cc1OC.O=S=O
• InChI: InChI=1S/C25H34ClF2N5O2.O2S/c1-4-33-23(21(26)22(32-33)24(34)30-13-16-7-5-15(2)6-8-16)18-14-29-20(11-19(18)35-3)31-17-9-10-25(27,28)12-17;1-3-2/h11,14-17H,4-10,12-13H2,1-3H3,(H,29,31)(H,30,34);/t15?,16?,17-;/m0./s1
• InChIKey: ZNLHIIRNIQWXPM-NVZCODBPSA-N
• XLogP: 5.11
• TPSA: 115.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.09
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The IUPAC name of 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide (CID 162168361) is 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide.

What is the SMILES notation for 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The canonical SMILES for 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H]2CCC(F)(F)C2)cc1OC.O=S=O.

What is the InChIKey of 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

The InChIKey is ZNLHIIRNIQWXPM-NVZCODBPSA-N. The full InChI is InChI=1S/C25H34ClF2N5O2.O2S/c1-4-33-23(21(26)22(32-33)24(34)30-13-16-7-5-15(2)6-8-16)18-14-29-20(11-19(18)35-3)31-17-9-10-25(27,28)12-17;1-3-2/h11,14-17H,4-10,12-13H2,1-3H3,(H,29,31)(H,30,34);/t15?,16?,17-;/m0./s1.

What are the key properties of 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide?

4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide has a molecular weight of 574.09 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[6-[[(1S)-3,3-difluorocyclopentyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 162168361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).