N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide

C33H34FN9O4 — CID 170416143

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCCn1nc(C)c(F)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C33H34FN9O4/c1-7-43-29(27(34)20(3)40-43)31-39-38-30(42(31)18-21-8-11-23(45-4)12-9-21)28-25-16-35-19(2)17-41(25)32(37-28)33(44)36-15-22-10-13-24(46-5)14-26(22)47-6/h8-14,16-17H,7,15,18H2,1-6H3,(H,36,44)
InChIKeyDBIVOYNUJFZTLF-UHFFFAOYSA-N
MW639.69 g/mol
LogP4.63
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170416143) has the molecular formula C33H34FN9O4 and a molecular weight of 639.69 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID170416143
Molecular FormulaC33H34FN9O4
Molecular Weight639.69 g/mol
Exact Mass639.27
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESCCn1nc(C)c(F)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C33H34FN9O4/c1-7-43-29(27(34)20(3)40-43)31-39-38-30(42(31)18-21-8-11-23(45-4)12-9-21)28-25-16-35-19(2)17-41(25)32(37-28)33(44)36-15-22-10-13-24(46-5)14-26(22)47-6/h8-14,16-17H,7,15,18H2,1-6H3,(H,36,44)
InChIKeyDBIVOYNUJFZTLF-UHFFFAOYSA-N
XLogP4.63
TPSA135.51 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.69
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide (CID 170416143) is N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide is CCn1nc(C)c(F)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DBIVOYNUJFZTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN9O4/c1-7-43-29(27(34)20(3)40-43)31-39-38-30(42(31)18-21-8-11-23(45-4)12-9-21)28-25-16-35-19(2)17-41(25)32(37-28)33(44)36-15-22-10-13-24(46-5)14-26(22)47-6/h8-14,16-17H,7,15,18H2,1-6H3,(H,36,44).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 639.69 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-4-fluoro-3-methylpyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-6-methylimidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170416143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).