6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H21F2N7O — CID 86847102

IUPAC6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)Cc3nccn3C(F)F)c12
InChIInChI=1S/C22H21F2N7O/c1-13-19-15(21(32)29(2)12-18-26-9-10-30(18)22(23)24)11-16(14-6-7-14)27-20(19)31(28-13)17-5-3-4-8-25-17/h3-5,8-11,14,22H,6-7,12H2,1-2H3
InChIKeyDWZRPJXCORUFFO-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.87
Rot. Bonds6

About 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86847102) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86847102
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)Cc3nccn3C(F)F)c12
InChIInChI=1S/C22H21F2N7O/c1-13-19-15(21(32)29(2)12-18-26-9-10-30(18)22(23)24)11-16(14-6-7-14)27-20(19)31(28-13)17-5-3-4-8-25-17/h3-5,8-11,14,22H,6-7,12H2,1-2H3
InChIKeyDWZRPJXCORUFFO-UHFFFAOYSA-N
XLogP3.87
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 86847102) is 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)N(C)Cc3nccn3C(F)F)c12.
What is the InChIKey of 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DWZRPJXCORUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-13-19-15(21(32)29(2)12-18-26-9-10-30(18)22(23)24)11-16(14-6-7-14)27-20(19)31(28-13)17-5-3-4-8-25-17/h3-5,8-11,14,22H,6-7,12H2,1-2H3.
What are the key properties of 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,3-dimethyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86847102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).