3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C27H30N6O — CID 19496033

IUPAC3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C27H30N6O/c1-16-22(17(2)32(4)29-16)15-31(3)27(34)21-14-23(18-10-11-18)28-26-24(21)25(19-12-13-19)30-33(26)20-8-6-5-7-9-20/h5-9,14,18-19H,10-13,15H2,1-4H3
InChIKeyLYGCBWSAWXEVTF-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.80
Rot. Bonds6

About 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 19496033) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID19496033
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C27H30N6O/c1-16-22(17(2)32(4)29-16)15-31(3)27(34)21-14-23(18-10-11-18)28-26-24(21)25(19-12-13-19)30-33(26)20-8-6-5-7-9-20/h5-9,14,18-19H,10-13,15H2,1-4H3
InChIKeyLYGCBWSAWXEVTF-UHFFFAOYSA-N
XLogP4.80
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 19496033) is 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1.
What is the InChIKey of 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LYGCBWSAWXEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-16-22(17(2)32(4)29-16)15-31(3)27(34)21-14-23(18-10-11-18)28-26-24(21)25(19-12-13-19)30-33(26)20-8-6-5-7-9-20/h5-9,14,18-19H,10-13,15H2,1-4H3.
What are the key properties of 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-N-methyl-1-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19496033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).