N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

C26H34F2N6O — CID 19501895

IUPACN,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C26H34F2N6O/c1-17-24-21(25(27)28)13-22(18-14-29-32(2)15-18)30-26(24)33(31-17)16-23(35)34(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20,25H,3-12,16H2,1-2H3
InChIKeyQZFKKBKEXPHATA-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.57
Rot. Bonds6

About N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501895) has the molecular formula C26H34F2N6O and a molecular weight of 484.60 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19501895
Molecular FormulaC26H34F2N6O
Molecular Weight484.60 g/mol
Exact Mass484.28
IUPAC NameN,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C26H34F2N6O/c1-17-24-21(25(27)28)13-22(18-14-29-32(2)15-18)30-26(24)33(31-17)16-23(35)34(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20,25H,3-12,16H2,1-2H3
InChIKeyQZFKKBKEXPHATA-UHFFFAOYSA-N
XLogP5.57
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501895) is N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.
What is the InChIKey of N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is QZFKKBKEXPHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O/c1-17-24-21(25(27)28)13-22(18-14-29-32(2)15-18)30-26(24)33(31-17)16-23(35)34(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h13-15,19-20,25H,3-12,16H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).