1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine

C20H19F2N5 — CID 19497756

IUPAC1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(Cc3ccccc3)c2n1
InChIInChI=1S/C20H19F2N5/c1-12-16(11-26(3)24-12)17-9-15(19(21)22)18-13(2)25-27(20(18)23-17)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3
InChIKeyBEZGTPSZUNXIFR-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.43
Rot. Bonds4

About 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine

1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 19497756) has the molecular formula C20H19F2N5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID19497756
Molecular FormulaC20H19F2N5
Molecular Weight367.40 g/mol
Exact Mass367.16
IUPAC Name1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(Cc3ccccc3)c2n1
InChIInChI=1S/C20H19F2N5/c1-12-16(11-26(3)24-12)17-9-15(19(21)22)18-13(2)25-27(20(18)23-17)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3
InChIKeyBEZGTPSZUNXIFR-UHFFFAOYSA-N
XLogP4.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762
4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096024
1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methyl-6-naphthalen-1-ylpyrazolo[5,4-b]pyridine
CID 29096252
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
N-(1-benzylpyrazol-4-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501680
6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096189
6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090612
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499402
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501873
1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821521

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine (CID 19497756) is 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is BEZGTPSZUNXIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5/c1-12-16(11-26(3)24-12)17-9-15(19(21)22)18-13(2)25-27(20(18)23-17)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine?
1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 367.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).