2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide

C19H22F2N6O — CID 19499634

IUPAC2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1ccc(CNC(=O)Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)n1
InChIInChI=1S/C19H22F2N6O/c1-3-26-7-6-13(25-26)9-22-16(28)10-27-19-17(11(2)24-27)14(18(20)21)8-15(23-19)12-4-5-12/h6-8,12,18H,3-5,9-10H2,1-2H3,(H,22,28)
InChIKeyOCEPYCDSWQISQX-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.09
Rot. Bonds7

About 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19499634) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
PubChem CID19499634
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1ccc(CNC(=O)Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)n1
InChIInChI=1S/C19H22F2N6O/c1-3-26-7-6-13(25-26)9-22-16(28)10-27-19-17(11(2)24-27)14(18(20)21)8-15(23-19)12-4-5-12/h6-8,12,18H,3-5,9-10H2,1-2H3,(H,22,28)
InChIKeyOCEPYCDSWQISQX-UHFFFAOYSA-N
XLogP3.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19530318
N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499540
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 19499702
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
N-(2-adamantyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499552
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19499629
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19499556
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 19499591
6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096189

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide (CID 19499634) is 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide is CCn1ccc(CNC(=O)Cn2nc(C)c3c(C(F)F)cc(C4CC4)nc32)n1.
What is the InChIKey of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OCEPYCDSWQISQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-3-26-7-6-13(25-26)9-22-16(28)10-27-19-17(11(2)24-27)14(18(20)21)8-15(23-19)12-4-5-12/h6-8,12,18H,3-5,9-10H2,1-2H3,(H,22,28).
What are the key properties of 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide?
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19499634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).