N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide

C25H24ClN7O — CID 142781802

IUPACN-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1[nH]c(-c2ccc(Cl)cc2)cc1CN1CCN(c2ccccn2)CC1)c1cnccn1
InChIInChI=1S/C25H24ClN7O/c26-20-6-4-18(5-7-20)21-15-19(24(30-21)31-25(34)22-16-27-9-10-28-22)17-32-11-13-33(14-12-32)23-3-1-2-8-29-23/h1-10,15-16,30H,11-14,17H2,(H,31,34)
InChIKeySSGASIHTKAHJTR-UHFFFAOYSA-N
MW473.97 g/mol
LogP4.09
Rot. Bonds6

About N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide

N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide (PubChem CID 142781802) has the molecular formula C25H24ClN7O and a molecular weight of 473.97 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide
PubChem CID142781802
Molecular FormulaC25H24ClN7O
Molecular Weight473.97 g/mol
Exact Mass473.17
IUPAC NameN-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1[nH]c(-c2ccc(Cl)cc2)cc1CN1CCN(c2ccccn2)CC1)c1cnccn1
InChIInChI=1S/C25H24ClN7O/c26-20-6-4-18(5-7-20)21-15-19(24(30-21)31-25(34)22-16-27-9-10-28-22)17-32-11-13-33(14-12-32)23-3-1-2-8-29-23/h1-10,15-16,30H,11-14,17H2,(H,31,34)
InChIKeySSGASIHTKAHJTR-UHFFFAOYSA-N
XLogP4.09
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899942
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900108
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-4-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900259
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 164625441
(E)-7-(4-chlorobenzyl)-3-methyl-8-(2-(pyridin-3-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
CID 9642086
5-methyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)pyrazine-2-carboxamide
CID 10091293
N-[5-(3-chloropyridin-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071781

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide (CID 142781802) is N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide is O=C(Nc1[nH]c(-c2ccc(Cl)cc2)cc1CN1CCN(c2ccccn2)CC1)c1cnccn1.
What is the InChIKey of N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide?
The InChIKey is SSGASIHTKAHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O/c26-20-6-4-18(5-7-20)21-15-19(24(30-21)31-25(34)22-16-27-9-10-28-22)17-32-11-13-33(14-12-32)23-3-1-2-8-29-23/h1-10,15-16,30H,11-14,17H2,(H,31,34).
What are the key properties of N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide?
N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide has a molecular weight of 473.97 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 142781802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).