4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C26H36ClF2N5O2 — CID 153296607

IUPAC4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H]2CCCCC2(F)F)cc1OC
InChIInChI=1S/C26H36ClF2N5O2/c1-4-34-24(22(27)23(33-34)25(35)31-14-17-10-8-16(2)9-11-17)18-15-30-21(13-19(18)36-3)32-20-7-5-6-12-26(20,28)29/h13,15-17,20H,4-12,14H2,1-3H3,(H,30,32)(H,31,35)/t16?,17?,20-/m1/s1
InChIKeyVJYMZOVJRKKFHD-LBXVMSDZSA-N
MW524.06 g/mol
LogP6.17
Rot. Bonds8

About 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296607) has the molecular formula C26H36ClF2N5O2 and a molecular weight of 524.06 g/mol. Its IUPAC name is 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296607
Molecular FormulaC26H36ClF2N5O2
Molecular Weight524.06 g/mol
Exact Mass523.25
IUPAC Name4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H]2CCCCC2(F)F)cc1OC
InChIInChI=1S/C26H36ClF2N5O2/c1-4-34-24(22(27)23(33-34)25(35)31-14-17-10-8-16(2)9-11-17)18-15-30-21(13-19(18)36-3)32-20-7-5-6-12-26(20,28)29/h13,15-17,20H,4-12,14H2,1-3H3,(H,30,32)(H,31,35)/t16?,17?,20-/m1/s1
InChIKeyVJYMZOVJRKKFHD-LBXVMSDZSA-N
XLogP6.17
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.06
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Pyrazole scaffold, 16
CID 25218470
US10975057, Example 10
CID 146286231
US10975057, Example 49
CID 146286291
US10975057, Example 5
CID 146286319
US11034658, Example 9
CID 153296722
US10975057, Example 46
CID 146286194
US10975057, Example 43
CID 146286197
US10975057, Example 35
CID 146286232
US10975057, Example 38
CID 146286235
US10975057, Example 9
CID 146286237
US10975057, Example 23
CID 146286238
US10975057, Example 93
CID 146286240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296607) is 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H]2CCCCC2(F)F)cc1OC.
What is the InChIKey of 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VJYMZOVJRKKFHD-LBXVMSDZSA-N. The full InChI is InChI=1S/C26H36ClF2N5O2/c1-4-34-24(22(27)23(33-34)25(35)31-14-17-10-8-16(2)9-11-17)18-15-30-21(13-19(18)36-3)32-20-7-5-6-12-26(20,28)29/h13,15-17,20H,4-12,14H2,1-3H3,(H,30,32)(H,31,35)/t16?,17?,20-/m1/s1.
What are the key properties of 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 524.06 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-[[(1R)-2,2-difluorocyclohexyl]amino]-4-methoxy-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).