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

C47H37N9O8 — CID 166108785

IUPACN-[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
SMILESCOc1nc(-c2c[nH]c3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C.COc1nc(-c2cnc3c(c2)OCO3)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H19N5O3.C23H18N4O5/c1-14-20(21(29-32-14)15-7-4-3-5-8-15)23(30)27-19-11-10-18(28-24(19)31-2)17-13-26-22-16(17)9-6-12-25-22;1-13-19(20(27-32-13)14-6-4-3-5-7-14)21(28)25-17-9-8-16(26-22(17)29-2)15-10-18-23(24-11-15)31-12-30-18/h3-13H,1-2H3,(H,25,26)(H,27,30);3-11H,12H2,1-2H3,(H,25,28)
InChIKeyNWVUZZFCWSRACL-UHFFFAOYSA-N
MW855.87 g/mol
LogP8.95
Rot. Bonds10

About 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

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 (PubChem CID 166108785) has the molecular formula C47H37N9O8 and a molecular weight of 855.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID166108785
Molecular FormulaC47H37N9O8
Molecular Weight855.87 g/mol
Exact Mass855.28
IUPAC NameN-[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
SMILESCOc1nc(-c2c[nH]c3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C.COc1nc(-c2cnc3c(c2)OCO3)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C24H19N5O3.C23H18N4O5/c1-14-20(21(29-32-14)15-7-4-3-5-8-15)23(30)27-19-11-10-18(28-24(19)31-2)17-13-26-22-16(17)9-6-12-25-22;1-13-19(20(27-32-13)14-6-4-3-5-7-14)21(28)25-17-9-8-16(26-22(17)29-2)15-10-18-23(24-11-15)31-12-30-18/h3-13H,1-2H3,(H,25,26)(H,27,30);3-11H,12H2,1-2H3,(H,25,28)
InChIKeyNWVUZZFCWSRACL-UHFFFAOYSA-N
XLogP8.95
TPSA214.53 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.87
LogP ≤ 58.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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-(2-methoxy-6-pyridin-4-yl-3-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108834
4-[6-methoxy-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]benzoic acid
CID 175525447
N-[2-methoxy-6-(5-pyrazol-1-yl-3-pyridinyl)-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108578
N-[6-[6-methanimidoyl-5-(methylamino)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167182443
N-[2-methoxy-6-[6-(methylaminomethyl)-3-pyridinyl]-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108874
N-[6-[5-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108814
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
N-[6-(6-aminopyridazin-3-yl)-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108868
N-[2-(2-aminopyrimidin-5-yl)-4-methoxypyrimidin-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108653
N-[6-(2-aminopyrimidin-5-yl)-2-propan-2-yloxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108925
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc(-c2c[nH]c3ncccc23)ccc1NC(=O)c1c(-c2ccccc2)noc1C.COc1nc(-c2cnc3c(c2)OCO3)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 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?
The InChIKey is NWVUZZFCWSRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3.C23H18N4O5/c1-14-20(21(29-32-14)15-7-4-3-5-8-15)23(30)27-19-11-10-18(28-24(19)31-2)17-13-26-22-16(17)9-6-12-25-22;1-13-19(20(27-32-13)14-6-4-3-5-7-14)21(28)25-17-9-8-16(26-22(17)29-2)15-10-18-23(24-11-15)31-12-30-18/h3-13H,1-2H3,(H,25,26)(H,27,30);3-11H,12H2,1-2H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 855.87 g/mol, XLogP of 8.95, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166108785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).