N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C25H20N6O3 — CID 166108578

IUPACN-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cncc(-n3cccn3)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H20N6O3/c1-16-22(23(30-34-16)17-7-4-3-5-8-17)24(32)28-21-10-9-20(29-25(21)33-2)18-13-19(15-26-14-18)31-12-6-11-27-31/h3-15H,1-2H3,(H,28,32)
InChIKeyMVDCHQRXOPIRKK-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.55
Rot. Bonds6

About N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108578) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108578
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC NameN-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2cncc(-n3cccn3)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H20N6O3/c1-16-22(23(30-34-16)17-7-4-3-5-8-17)24(32)28-21-10-9-20(29-25(21)33-2)18-13-19(15-26-14-18)31-12-6-11-27-31/h3-15H,1-2H3,(H,28,32)
InChIKeyMVDCHQRXOPIRKK-UHFFFAOYSA-N
XLogP4.55
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
N-[6-[5-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108814
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-[2-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108810
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-[2-methoxy-6-[6-(methylaminomethyl)-3-pyridinyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108874
N-[6-(6-aminopyridazin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108868
N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167182443
N-[6-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-ylmethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108820
N-[2-methoxy-6-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108910
N-[6-([1,3]dioxolo[4,5-b]pyridin-6-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-[2-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108785
tert-butyl N-[2-[4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]imidazol-1-yl]ethyl]carbamate
CID 166108765

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108578) is N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2cncc(-n3cccn3)c2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MVDCHQRXOPIRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-16-22(23(30-34-16)17-7-4-3-5-8-17)24(32)28-21-10-9-20(29-25(21)33-2)18-13-19(15-26-14-18)31-12-6-11-27-31/h3-15H,1-2H3,(H,28,32).
What are the key properties of N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).