(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one

C28H28FN5O3 — CID 139474526

IUPAC(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCN(C)C(=O)N5C4)n4ccncc34)cc2)c1F
InChIInChI=1S/C28H28FN5O3/c1-32-14-12-20-9-6-19(17-34(20)28(32)35)27-31-26(22-16-30-13-15-33(22)27)18-7-10-21(11-8-18)37-24-5-3-4-23(36-2)25(24)29/h3-5,7-8,10-11,13,15-16,19-20H,6,9,12,14,17H2,1-2H3/t19-,20?/m1/s1
InChIKeyQRJLTEOCLGOUEZ-FIWHBWSRSA-N
MW501.56 g/mol
LogP5.34
Rot. Bonds5

About (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one

(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one (PubChem CID 139474526) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
PubChem CID139474526
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC Name(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one
SMILESCOc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCN(C)C(=O)N5C4)n4ccncc34)cc2)c1F
InChIInChI=1S/C28H28FN5O3/c1-32-14-12-20-9-6-19(17-34(20)28(32)35)27-31-26(22-16-30-13-15-33(22)27)18-7-10-21(11-8-18)37-24-5-3-4-23(36-2)25(24)29/h3-5,7-8,10-11,13,15-16,19-20H,6,9,12,14,17H2,1-2H3/t19-,20?/m1/s1
InChIKeyQRJLTEOCLGOUEZ-FIWHBWSRSA-N
XLogP5.34
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)-8-phenylmethoxyimidazo[1,5-a]quinoxaline
CID 49821394
103D5R
CID 11267663
5-[(4-Benzyloxyphenyl)methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
CID 44427156
3-Cyclobutyl-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438839
3-[8-Amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44538587
3-[8-Amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44539192
3-Cyclobutyl-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960806
3-Cyclobutyl-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960837
3-Cyclobutyl-1-[4-(3-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 57960888
3-Cyclobutyl-1-(3-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960960
3-Cyclobutyl-1-[4-(2-fluorophenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 57960972
3-Cyclobutyl-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57961010

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The IUPAC name of (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one (CID 139474526) is (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one.
What is the SMILES notation for (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The canonical SMILES for (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one is COc1cccc(Oc2ccc(-c3nc([C@@H]4CCC5CCN(C)C(=O)N5C4)n4ccncc34)cc2)c1F.
What is the InChIKey of (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
The InChIKey is QRJLTEOCLGOUEZ-FIWHBWSRSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-32-14-12-20-9-6-19(17-34(20)28(32)35)27-31-26(22-16-30-13-15-33(22)27)18-7-10-21(11-8-18)37-24-5-3-4-23(36-2)25(24)29/h3-5,7-8,10-11,13,15-16,19-20H,6,9,12,14,17H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one?
(7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one has a molecular weight of 501.56 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 139474526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).