2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone

C18H20F2N6O — CID 19503507

IUPAC2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C18H20F2N6O/c1-11-16-13(17(19)20)7-14(12-8-21-24(2)9-12)22-18(16)26(23-11)10-15(27)25-5-3-4-6-25/h7-9,17H,3-6,10H2,1-2H3
InChIKeyPZCWDWMKTNUJRM-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.70
Rot. Bonds4

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

2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 19503507) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID19503507
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
InChIInChI=1S/C18H20F2N6O/c1-11-16-13(17(19)20)7-14(12-8-21-24(2)9-12)22-18(16)26(23-11)10-15(27)25-5-3-4-6-25/h7-9,17H,3-6,10H2,1-2H3
InChIKeyPZCWDWMKTNUJRM-UHFFFAOYSA-N
XLogP2.70
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501895
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503515
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
CID 19503672
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503595
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19503553
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503635
4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
CID 29090216
1-(4-benzylpiperidin-1-yl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499718
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497159
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19501488
1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19501481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone (CID 19503507) is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1nn(CC(=O)N2CCCC2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.
What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is PZCWDWMKTNUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c1-11-16-13(17(19)20)7-14(12-8-21-24(2)9-12)22-18(16)26(23-11)10-15(27)25-5-3-4-6-25/h7-9,17H,3-6,10H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 374.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 19503507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).