N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C26H25FN4O2 — CID 67232730

IUPACN-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1
InChIInChI=1S/C26H25FN4O2/c1-33-19-8-9-22(27)21(14-19)24-25(29-12-11-28-24)26(32)31(16-17-6-7-17)13-10-18-15-30-23-5-3-2-4-20(18)23/h2-5,8-9,11-12,14-15,17,30H,6-7,10,13,16H2,1H3
InChIKeyXEGWKJQQIMWGQJ-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.87
Rot. Bonds8

About N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 67232730) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID67232730
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC NameN-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1
InChIInChI=1S/C26H25FN4O2/c1-33-19-8-9-22(27)21(14-19)24-25(29-12-11-28-24)26(32)31(16-17-6-7-17)13-10-18-15-30-23-5-3-2-4-20(18)23/h2-5,8-9,11-12,14-15,17,30H,6-7,10,13,16H2,1H3
InChIKeyXEGWKJQQIMWGQJ-UHFFFAOYSA-N
XLogP4.87
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 67234284
N-ethyl-3-(4-fluoro-3-methylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232481
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231003
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395767
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
CID 45376144
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
CID 67394732
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
CID 45377349
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 42656999
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluoro-3-methylphenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 152561012
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 45377350
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395183

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 67232730) is N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is COc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is XEGWKJQQIMWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-33-19-8-9-22(27)21(14-19)24-25(29-12-11-28-24)26(32)31(16-17-6-7-17)13-10-18-15-30-23-5-3-2-4-20(18)23/h2-5,8-9,11-12,14-15,17,30H,6-7,10,13,16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67232730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).