2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole

C35H22N12O2 — CID 141195754

IUPAC2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
SMILESc1ccc(-c2c3c(nc(-c4ncco4)c2-c2ccon2)N(c2ccc[nH]2)C(c2cccnn2)C(c2ncccn2)=C3c2cnccn2)nc1
InChIInChI=1S/C35H22N12O2/c1-2-10-37-21(6-1)26-28(22-9-18-49-46-22)31(35-42-17-19-48-35)44-34-29(26)27(24-20-36-15-16-38-24)30(33-40-12-5-13-41-33)32(23-7-3-14-43-45-23)47(34)25-8-4-11-39-25/h1-20,32,39H
InChIKeyHFVIEEIJVDRWON-UHFFFAOYSA-N
MW642.64 g/mol
LogP6.00
Rot. Bonds7

About 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole

2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole (PubChem CID 141195754) has the molecular formula C35H22N12O2 and a molecular weight of 642.64 g/mol. Its IUPAC name is 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
PubChem CID141195754
Molecular FormulaC35H22N12O2
Molecular Weight642.64 g/mol
Exact Mass642.20
IUPAC Name2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
SMILESc1ccc(-c2c3c(nc(-c4ncco4)c2-c2ccon2)N(c2ccc[nH]2)C(c2cccnn2)C(c2ncccn2)=C3c2cnccn2)nc1
InChIInChI=1S/C35H22N12O2/c1-2-10-37-21(6-1)26-28(22-9-18-49-46-22)31(35-42-17-19-48-35)44-34-29(26)27(24-20-36-15-16-38-24)30(33-40-12-5-13-41-33)32(23-7-3-14-43-45-23)47(34)25-8-4-11-39-25/h1-20,32,39H
InChIKeyHFVIEEIJVDRWON-UHFFFAOYSA-N
XLogP6.00
TPSA174.21 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.64
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 158273284
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163670881
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137147166
4-[3-Isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-1-phthalazin-1-ylpiperazin-2-yl]morpholine
CID 141037963
3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole
CID 141068357
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
CID 141071928
2-[6-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-4H-pyran-2-yl]-1,3-oxazole
CID 141092472
6-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(7H-purin-8-yl)-2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-7-pyridin-2-yl-[1,3]oxazolo[5,4-b]pyridine
CID 141190250
2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
CID 141212962
formaldehyde;1-[4-[4-[7-(methylamino)-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 144234328
N-[5-[5-amino-4-[N-ethyl-C-[8-(furan-3-yl)-1,4-dihydropyrido[3,4-b]pyrazin-3-yl]carbonimidoyl]-6-[4-[2-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydropyrido[3,4-d]pyrimidin-4-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-2-yl]-2-pyridinyl]-3-pyridinyl]benzamide
CID 145037432
CID 157083523
CID 157083523

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole (CID 141195754) is 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole is c1ccc(-c2c3c(nc(-c4ncco4)c2-c2ccon2)N(c2ccc[nH]2)C(c2cccnn2)C(c2ncccn2)=C3c2cnccn2)nc1.
What is the InChIKey of 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole?
The InChIKey is HFVIEEIJVDRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N12O2/c1-2-10-37-21(6-1)26-28(22-9-18-49-46-22)31(35-42-17-19-48-35)44-34-29(26)27(24-20-36-15-16-38-24)30(33-40-12-5-13-41-33)32(23-7-3-14-43-45-23)47(34)25-8-4-11-39-25/h1-20,32,39H.
What are the key properties of 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole?
2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole has a molecular weight of 642.64 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141195754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).