N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide

C12H10N6O — CID 167874851

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide
SMILESO=C(Cc1cncnc1)Nc1n[nH]c2cccnc12
InChIInChI=1S/C12H10N6O/c19-10(4-8-5-13-7-14-6-8)16-12-11-9(17-18-12)2-1-3-15-11/h1-3,5-7H,4H2,(H2,16,17,18,19)
InChIKeyDKRWWHDMHBUGPZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds3

About N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide (PubChem CID 167874851) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide
PubChem CID167874851
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide
SMILESO=C(Cc1cncnc1)Nc1n[nH]c2cccnc12
InChIInChI=1S/C12H10N6O/c19-10(4-8-5-13-7-14-6-8)16-12-11-9(17-18-12)2-1-3-15-11/h1-3,5-7H,4H2,(H2,16,17,18,19)
InChIKeyDKRWWHDMHBUGPZ-UHFFFAOYSA-N
XLogP0.93
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenyl]acetamide
CID 123833221
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
2-naphthalen-2-yl-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233289
2-(methylamino)-1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
CID 84662554
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
2-pyridin-3-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetamide
CID 166192558
2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233124
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine
CID 66973402
2-(1,3-dihydro-2-benzofuran-5-yl)-N-(1H-indazol-3-yl)acetamide
CID 155948336
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide (CID 167874851) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide is O=C(Cc1cncnc1)Nc1n[nH]c2cccnc12.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide?
The InChIKey is DKRWWHDMHBUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-10(4-8-5-13-7-14-6-8)16-12-11-9(17-18-12)2-1-3-15-11/h1-3,5-7H,4H2,(H2,16,17,18,19).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide has a molecular weight of 254.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide is sourced from PubChem (CID 167874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).