N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H33N7O3 — CID 41499066

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3cnn(C(C)C)c3nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N7O3/c1-7-8-9-28-19(24)18(21(31)27-23(28)33)29(12-13(2)3)22(32)17-10-16-11-25-30(14(4)5)20(16)26-15(17)6/h10-11,13-14H,7-9,12,24H2,1-6H3,(H,27,31,33)
InChIKeyJOQWCAAADPAHSE-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.86
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 41499066) has the molecular formula C23H33N7O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID41499066
Molecular FormulaC23H33N7O3
Molecular Weight455.56 g/mol
Exact Mass455.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3cnn(C(C)C)c3nc2C)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N7O3/c1-7-8-9-28-19(24)18(21(31)27-23(28)33)29(12-13(2)3)22(32)17-10-16-11-25-30(14(4)5)20(16)26-15(17)6/h10-11,13-14H,7-9,12,24H2,1-6H3,(H,27,31,33)
InChIKeyJOQWCAAADPAHSE-UHFFFAOYSA-N
XLogP2.86
TPSA131.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
ethyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600789
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-2-methyl-N-pentylquinoline-3-carboxamide
CID 55478385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(3-chlorophenyl)-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 55882538
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 24687531

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 41499066) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3cnn(C(C)C)c3nc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JOQWCAAADPAHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3/c1-7-8-9-28-19(24)18(21(31)27-23(28)33)29(12-13(2)3)22(32)17-10-16-11-25-30(14(4)5)20(16)26-15(17)6/h10-11,13-14H,7-9,12,24H2,1-6H3,(H,27,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-methyl-N-(2-methylpropyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 41499066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).