N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H35N5O3S — CID 78824943

IUPACN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(CCCN(C)C)C2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H35N5O3S/c1-15(2)20-12-18(19-13-23-27(16(3)4)21(19)24-20)22(28)26(10-7-9-25(5)6)17-8-11-31(29,30)14-17/h12-13,15-17H,7-11,14H2,1-6H3
InChIKeyAHZDAFJIWXAJKL-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.72
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 78824943) has the molecular formula C22H35N5O3S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID78824943
Molecular FormulaC22H35N5O3S
Molecular Weight449.62 g/mol
Exact Mass449.25
IUPAC NameN-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(CCCN(C)C)C2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H35N5O3S/c1-15(2)20-12-18(19-13-23-27(16(3)4)21(19)24-20)22(28)26(10-7-9-25(5)6)17-8-11-31(29,30)14-17/h12-13,15-17H,7-11,14H2,1-6H3
InChIKeyAHZDAFJIWXAJKL-UHFFFAOYSA-N
XLogP2.72
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-N-ethyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134015253
tert-butyl 4-[[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]piperidine-1-carboxylate
CID 60547590
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30800085
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55556612
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78837678
2-bromo-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 78824875
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16560843
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43032369
4,5-dichloro-N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1-methylpyrrole-2-carboxamide
CID 78869791
N-methyl-N-[2-(3-methylphenoxy)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24506300
4-amino-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]butan-1-one
CID 167672894

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 78824943) is N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)N(CCCN(C)C)C2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AHZDAFJIWXAJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3S/c1-15(2)20-12-18(19-13-23-27(16(3)4)21(19)24-20)22(28)26(10-7-9-25(5)6)17-8-11-31(29,30)14-17/h12-13,15-17H,7-11,14H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78824943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).