N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide

C20H18N6O3 — CID 172606272

IUPACN-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1N1Cc2cnc(N)nc2C2(CC2)C1=O
InChIInChI=1S/C20H18N6O3/c1-11-2-3-13(24-17(27)15-4-7-23-29-15)8-14(11)26-10-12-9-22-19(21)25-16(12)20(5-6-20)18(26)28/h2-4,7-9H,5-6,10H2,1H3,(H,24,27)(H2,21,22,25)
InChIKeyBIHMWJGMZLQBRX-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.19
Rot. Bonds3

About N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide

N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 172606272) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide
PubChem CID172606272
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1N1Cc2cnc(N)nc2C2(CC2)C1=O
InChIInChI=1S/C20H18N6O3/c1-11-2-3-13(24-17(27)15-4-7-23-29-15)8-14(11)26-10-12-9-22-19(21)25-16(12)20(5-6-20)18(26)28/h2-4,7-9H,5-6,10H2,1H3,(H,24,27)(H2,21,22,25)
InChIKeyBIHMWJGMZLQBRX-UHFFFAOYSA-N
XLogP2.19
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide (CID 172606272) is N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccno2)cc1N1Cc2cnc(N)nc2C2(CC2)C1=O.
What is the InChIKey of N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is BIHMWJGMZLQBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-11-2-3-13(24-17(27)15-4-7-23-29-15)8-14(11)26-10-12-9-22-19(21)25-16(12)20(5-6-20)18(26)28/h2-4,7-9H,5-6,10H2,1H3,(H,24,27)(H2,21,22,25).
What are the key properties of N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide?
N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-7-oxospiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-6-yl)-4-methylphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 172606272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).