N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H23N7O2 — CID 44824836

IUPACN-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n(C2CCCC2)n1
InChIInChI=1S/C21H23N7O2/c1-12-8-18(28(25-12)15-6-4-5-7-15)24-20(29)16-9-17(14-10-22-27(3)11-14)23-21-19(16)13(2)26-30-21/h8-11,15H,4-7H2,1-3H3,(H,24,29)
InChIKeyISCODJAXCKHIOS-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.80
Rot. Bonds4

About N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824836) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824836
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n(C2CCCC2)n1
InChIInChI=1S/C21H23N7O2/c1-12-8-18(28(25-12)15-6-4-5-7-15)24-20(29)16-9-17(14-10-22-27(3)11-14)23-21-19(16)13(2)26-30-21/h8-11,15H,4-7H2,1-3H3,(H,24,29)
InChIKeyISCODJAXCKHIOS-UHFFFAOYSA-N
XLogP3.80
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824723
N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824998
N-(1-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44824807
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824761
3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824797
3-methyl-6-(1-methylpyrazol-4-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824861
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51855283
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44824847
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824836) is N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)n(C2CCCC2)n1.
What is the InChIKey of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ISCODJAXCKHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-12-8-18(28(25-12)15-6-4-5-7-15)24-20(29)16-9-17(14-10-22-27(3)11-14)23-21-19(16)13(2)26-30-21/h8-11,15H,4-7H2,1-3H3,(H,24,29).
What are the key properties of N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).