N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C27H29N5O4 — CID 174333782

IUPACN-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCOCC5)nn4cc3N3CCC(O)C3)co2)c1
InChIInChI=1S/C27H29N5O4/c1-17-3-2-4-19(11-17)27-29-24(16-36-27)26(34)28-23-13-20-12-22(18-6-9-35-10-7-18)30-32(20)15-25(23)31-8-5-21(33)14-31/h2-4,11-13,15-16,18,21,33H,5-10,14H2,1H3,(H,28,34)
InChIKeyQYYDQJLMARPQKJ-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.02
Rot. Bonds5

About N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 174333782) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID174333782
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC NameN-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCOCC5)nn4cc3N3CCC(O)C3)co2)c1
InChIInChI=1S/C27H29N5O4/c1-17-3-2-4-19(11-17)27-29-24(16-36-27)26(34)28-23-13-20-12-22(18-6-9-35-10-7-18)30-32(20)15-25(23)31-8-5-21(33)14-31/h2-4,11-13,15-16,18,21,33H,5-10,14H2,1H3,(H,28,34)
InChIKeyQYYDQJLMARPQKJ-UHFFFAOYSA-N
XLogP4.02
TPSA105.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 174333782) is N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3cc4cc(C5CCOCC5)nn4cc3N3CCC(O)C3)co2)c1.
What is the InChIKey of N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QYYDQJLMARPQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-3-2-4-19(11-17)27-29-24(16-36-27)26(34)28-23-13-20-12-22(18-6-9-35-10-7-18)30-32(20)15-25(23)31-8-5-21(33)14-31/h2-4,11-13,15-16,18,21,33H,5-10,14H2,1H3,(H,28,34).
What are the key properties of N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypyrrolidin-1-yl)-2-(oxan-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174333782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).