N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide

C41H42N8O5 — CID 170354643

IUPACN-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2cc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C41H42N8O5/c1-7-49-37(38(27(3)46-49)54-25-29-11-9-8-10-12-29)40-45-44-39(48(40)24-28-13-16-31(51-4)17-14-28)33-20-34(47-23-26(2)42-22-35(33)47)41(50)43-21-30-15-18-32(52-5)19-36(30)53-6/h8-20,22-23H,7,21,24-25H2,1-6H3,(H,43,50)
InChIKeyIBDIVULLDSFZBT-UHFFFAOYSA-N
MW726.84 g/mol
LogP6.68
Rot. Bonds14

About N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 170354643) has the molecular formula C41H42N8O5 and a molecular weight of 726.84 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID170354643
Molecular FormulaC41H42N8O5
Molecular Weight726.84 g/mol
Exact Mass726.33
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2cc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C41H42N8O5/c1-7-49-37(38(27(3)46-49)54-25-29-11-9-8-10-12-29)40-45-44-39(48(40)24-28-13-16-31(51-4)17-14-28)33-20-34(47-23-26(2)42-22-35(33)47)41(50)43-21-30-15-18-32(52-5)19-36(30)53-6/h8-20,22-23H,7,21,24-25H2,1-6H3,(H,43,50)
InChIKeyIBDIVULLDSFZBT-UHFFFAOYSA-N
XLogP6.68
TPSA131.85 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170354586
ethyl 4-[6-[(2,4-dimethoxyphenyl)methylcarbamoyl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazin-8-yl]-2-(3-methyl-4-phenylmethoxy-1-propylpyrazol-5-yl)-1,3-oxazole-5-carboxylate
CID 170354705
N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1-[2-methyl-5-[3-methyl-1-(2-phenylethyl)-4-phenylmethoxypyrazol-5-yl]-1,2,4-triazol-3-yl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 170354822
8-bromo-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170354594
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-hydroxyprop-1-ynyl)-6-methylimidazo[1,5-a]pyrazine-3-carboxamide
CID 170590268
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55595610
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
CID 139336695
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide (CID 170354643) is N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide is CCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2cc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C)ncc23)n1Cc1ccc(OC)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is IBDIVULLDSFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N8O5/c1-7-49-37(38(27(3)46-49)54-25-29-11-9-8-10-12-29)40-45-44-39(48(40)24-28-13-16-31(51-4)17-14-28)33-20-34(47-23-26(2)42-22-35(33)47)41(50)43-21-30-15-18-32(52-5)19-36(30)53-6/h8-20,22-23H,7,21,24-25H2,1-6H3,(H,43,50).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 726.84 g/mol, XLogP of 6.68, 14 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]-8-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-3-methylpyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 170354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).