4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

C25H25N5O3 — CID 148922378

IUPAC4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C25H25N5O3/c1-17-27-23(16-33-17)20-5-3-18(4-6-20)13-19-14-22(25(31)28-21-7-11-32-12-8-21)29-24(15-19)30-10-2-9-26-30/h2-6,9-10,14-16,21H,7-8,11-13H2,1H3,(H,28,31)
InChIKeyPKICDTPZVKSEBL-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.73
Rot. Bonds6

About 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 148922378) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID148922378
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C25H25N5O3/c1-17-27-23(16-33-17)20-5-3-18(4-6-20)13-19-14-22(25(31)28-21-7-11-32-12-8-21)29-24(15-19)30-10-2-9-26-30/h2-6,9-10,14-16,21H,7-8,11-13H2,1H3,(H,28,31)
InChIKeyPKICDTPZVKSEBL-UHFFFAOYSA-N
XLogP3.73
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (CID 148922378) is 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc(-n4cccn4)c3)cc2)co1.
What is the InChIKey of 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is PKICDTPZVKSEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-17-27-23(16-33-17)20-5-3-18(4-6-20)13-19-14-22(25(31)28-21-7-11-32-12-8-21)29-24(15-19)30-10-2-9-26-30/h2-6,9-10,14-16,21H,7-8,11-13H2,1H3,(H,28,31).
What are the key properties of 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 148922378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).