2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide

C21H23N7O — CID 90646598

IUPAC2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc(C(N)=O)n4)CC3)c2c1
InChIInChI=1S/C21H23N7O/c22-13-15-3-4-18-17(12-15)16(14-25-18)2-1-7-27-8-10-28(11-9-27)21-24-6-5-19(26-21)20(23)29/h3-6,12,14,25H,1-2,7-11H2,(H2,23,29)
InChIKeyMLIIXNSJKZGYKP-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.68
Rot. Bonds6

About 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 90646598) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID90646598
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc(C(N)=O)n4)CC3)c2c1
InChIInChI=1S/C21H23N7O/c22-13-15-3-4-18-17(12-15)16(14-25-18)2-1-7-27-8-10-28(11-9-27)21-24-6-5-19(26-21)20(23)29/h3-6,12,14,25H,1-2,7-11H2,(H2,23,29)
InChIKeyMLIIXNSJKZGYKP-UHFFFAOYSA-N
XLogP1.68
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
CID 145234467
ethyl 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 90646796
3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
CID 90468568
2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 140707355
3-[4-[4-(2-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;oxamide;hydrochloride
CID 141371465
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
2-[4-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-4-methyl-1,3-thiazole-5-carboxamide
CID 118505309
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11751791

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide (CID 90646598) is 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide is N#Cc1ccc2[nH]cc(CCCN3CCN(c4nccc(C(N)=O)n4)CC3)c2c1.
What is the InChIKey of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is MLIIXNSJKZGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c22-13-15-3-4-18-17(12-15)16(14-25-18)2-1-7-27-8-10-28(11-9-27)21-24-6-5-19(26-21)20(23)29/h3-6,12,14,25H,1-2,7-11H2,(H2,23,29).
What are the key properties of 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide?
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 90646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).