2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C31H38N8O8 — CID 90373713

IUPAC2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C27H32N8O2.C4H6O6/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;5-1(3(7)8)2(6)4(9)10/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyITYSMLMBYIBAHF-UHFFFAOYSA-N
MW650.69 g/mol
LogP1.17
Rot. Bonds10

About 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90373713) has the molecular formula C31H38N8O8 and a molecular weight of 650.69 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90373713
Molecular FormulaC31H38N8O8
Molecular Weight650.69 g/mol
Exact Mass650.28
IUPAC Name2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C27H32N8O2.C4H6O6/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;5-1(3(7)8)2(6)4(9)10/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyITYSMLMBYIBAHF-UHFFFAOYSA-N
XLogP1.17
TPSA224.51 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.69
LogP ≤ 51.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90373713) is 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ITYSMLMBYIBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2.C4H6O6/c1-18-23(12-20(13-29-18)25(36)28-9-11-34-10-5-8-27(34,2)3)32-26(37)22-15-31-35-17-19(6-7-24(22)35)21-14-30-33(4)16-21;5-1(3(7)8)2(6)4(9)10/h6-7,12-17H,5,8-11H2,1-4H3,(H,28,36)(H,32,37);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 650.69 g/mol, XLogP of 1.17, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90373713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).