2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

C17H16N10O — CID 167444204

IUPAC2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ncc(Nc2nn(C)c3nc(Nc4cncnc4)ncc23)cc1C(N)=O
InChIInChI=1S/C17H16N10O/c1-9-12(14(18)28)3-10(6-21-9)23-15-13-7-22-17(25-16(13)27(2)26-15)24-11-4-19-8-20-5-11/h3-8H,1-2H3,(H2,18,28)(H,23,26)(H,22,24,25)
InChIKeyQAAPBEGGRQQOHF-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.44
Rot. Bonds5

About 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 167444204) has the molecular formula C17H16N10O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID167444204
Molecular FormulaC17H16N10O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
SMILESCc1ncc(Nc2nn(C)c3nc(Nc4cncnc4)ncc23)cc1C(N)=O
InChIInChI=1S/C17H16N10O/c1-9-12(14(18)28)3-10(6-21-9)23-15-13-7-22-17(25-16(13)27(2)26-15)24-11-4-19-8-20-5-11/h3-8H,1-2H3,(H2,18,28)(H,23,26)(H,22,24,25)
InChIKeyQAAPBEGGRQQOHF-UHFFFAOYSA-N
XLogP1.44
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]pyridine-3-carboxamide
CID 167444177
6-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]pyridine-3-carboxamide
CID 167444117
ethyl 6-methyl-5-[[1-methyl-6-(pyridin-4-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxylate
CID 167444156
3-N-(5-amino-2-methyl-3-pyridinyl)-1-methyl-6-N-(2-methyl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 167444412
5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 167444363
2-(2,2-dimethylpyrrolidin-1-yl)-N-[6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-3-pyridinyl]acetamide
CID 167444193
N-[2-[cyclobutyl(3-methoxypropyl)amino]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
CID 167444088
methyl 5-[[6-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-6-methylpyridine-3-carboxylate
CID 167444324
[4-[1-cyclohexyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone;ethane
CID 153365748
1-methyl-3-N-phenyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 135377099
6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(4-oxa-7-azaspiro[2.5]octan-7-yl)ethyl]pyridine-3-carboxamide
CID 167444171
N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
CID 167444268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (CID 167444204) is 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is Cc1ncc(Nc2nn(C)c3nc(Nc4cncnc4)ncc23)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is QAAPBEGGRQQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N10O/c1-9-12(14(18)28)3-10(6-21-9)23-15-13-7-22-17(25-16(13)27(2)26-15)24-11-4-19-8-20-5-11/h3-8H,1-2H3,(H2,18,28)(H,23,26)(H,22,24,25).
What are the key properties of 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?
2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-methyl-6-(pyrimidin-5-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167444204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).