4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C26H36ClF2N5O3 — CID 153296611

About 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296611) has the molecular formula C26H36ClF2N5O3 and a molecular weight of 540.06 g/mol. Its IUPAC name is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• PubChem CID: 153296611
• Molecular Formula: C26H36ClF2N5O3
• Molecular Weight: 540.06 g/mol
• Exact Mass: 539.25
• IUPAC Name: 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F
• InChI: InChI=1S/C26H36ClF2N5O3/c1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35)
• InChIKey: FXLZHYRAWIXDPR-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 101.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.06
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The IUPAC name of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296611) is 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)CC2CC2)cc1OC(F)F.

What is the InChIKey of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

The InChIKey is FXLZHYRAWIXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClF2N5O3/c1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17/h12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35).

What are the key properties of 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?

4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 540.06 g/mol, XLogP of 5.49, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[6-(1-cyclopropylpropan-2-ylamino)-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).