4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

C26H29F2N9O3S — CID 167425634

About 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (PubChem CID 167425634) has the molecular formula C26H29F2N9O3S and a molecular weight of 585.64 g/mol. Its IUPAC name is 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
• PubChem CID: 167425634
• Molecular Formula: C26H29F2N9O3S
• Molecular Weight: 585.64 g/mol
• Exact Mass: 585.21
• IUPAC Name: 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
• SMILES: CC1(O)CCC(Nc2cc(Nc3cncc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)ncc2-c2ccn(C(F)F)n2)CC1
• InChI: InChI=1S/C26H29F2N9O3S/c1-26(38)7-4-17(5-8-26)32-21-10-23(30-12-19(21)20-6-9-36(35-20)25(27)28)34-24-14-29-13-22(33-24)16-11-31-37(15-16)41(39,40)18-2-3-18/h6,9-15,17-18,25,38H,2-5,7-8H2,1H3,(H2,30,32,33,34)
• InChIKey: HZQAHCBZVPVZQP-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 152.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.64
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The IUPAC name of 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (CID 167425634) is 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

What is the SMILES notation for 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The canonical SMILES for 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2cc(Nc3cncc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)ncc2-c2ccn(C(F)F)n2)CC1.

What is the InChIKey of 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

The InChIKey is HZQAHCBZVPVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N9O3S/c1-26(38)7-4-17(5-8-26)32-21-10-23(30-12-19(21)20-6-9-36(35-20)25(27)28)34-24-14-29-13-22(33-24)16-11-31-37(15-16)41(39,40)18-2-3-18/h6,9-15,17-18,25,38H,2-5,7-8H2,1H3,(H2,30,32,33,34).

What are the key properties of 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?

4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 585.64 g/mol, XLogP of 4.18, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[[6-(1-cyclopropylsulfonylpyrazol-4-yl)pyrazin-2-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167425634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).