N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C25H31N5O2 — CID 56599077

IUPACN-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CN(C(=O)c2cc(C3CC3)nc3n[nH]c(C)c23)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C25H31N5O2/c1-14-11-15(2)26-24(31)20(14)13-30(18-7-5-4-6-8-18)25(32)19-12-21(17-9-10-17)27-23-22(19)16(3)28-29-23/h11-12,17-18H,4-10,13H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyQKFSJPMWEVYXBS-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.42
Rot. Bonds5

About N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 56599077) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID56599077
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CN(C(=O)c2cc(C3CC3)nc3n[nH]c(C)c23)C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C25H31N5O2/c1-14-11-15(2)26-24(31)20(14)13-30(18-7-5-4-6-8-18)25(32)19-12-21(17-9-10-17)27-23-22(19)16(3)28-29-23/h11-12,17-18H,4-10,13H2,1-3H3,(H,26,31)(H,27,28,29)
InChIKeyQKFSJPMWEVYXBS-UHFFFAOYSA-N
XLogP4.42
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 56599077) is N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(C3CC3)nc3n[nH]c(C)c23)C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is QKFSJPMWEVYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-14-11-15(2)26-24(31)20(14)13-30(18-7-5-4-6-8-18)25(32)19-12-21(17-9-10-17)27-23-22(19)16(3)28-29-23/h11-12,17-18H,4-10,13H2,1-3H3,(H,26,31)(H,27,28,29).
What are the key properties of N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56599077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).