1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H28N6O — CID 44821521

IUPAC1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1
InChIInChI=1S/C25H28N6O/c1-15(21-14-30(4)28-16(21)2)26-25(32)20-12-22(19-10-11-19)27-24-23(20)17(3)29-31(24)13-18-8-6-5-7-9-18/h5-9,12,14-15,19H,10-11,13H2,1-4H3,(H,26,32)
InChIKeyIXAGRGJPCMPGNK-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.20
Rot. Bonds6

About 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821521) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821521
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1
InChIInChI=1S/C25H28N6O/c1-15(21-14-30(4)28-16(21)2)26-25(32)20-12-22(19-10-11-19)27-24-23(20)17(3)29-31(24)13-18-8-6-5-7-9-18/h5-9,12,14-15,19H,10-11,13H2,1-4H3,(H,26,32)
InChIKeyIXAGRGJPCMPGNK-UHFFFAOYSA-N
XLogP4.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854055
1-benzyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823462
1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854163
6-cyclopropyl-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854041
6-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46564121
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44823411
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51854405
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823473
N-[1-(3-bromophenyl)ethyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55576758
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 95114443

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44821521) is 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IXAGRGJPCMPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-15(21-14-30(4)28-16(21)2)26-25(32)20-12-22(19-10-11-19)27-24-23(20)17(3)29-31(24)13-18-8-6-5-7-9-18/h5-9,12,14-15,19H,10-11,13H2,1-4H3,(H,26,32).
What are the key properties of 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).