1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide

C26H34ClN7O — CID 70972796

IUPAC1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cn(-c4nccnc4N)c4cccc(Cl)c34)CCCCC2)CC1
InChIInChI=1S/C26H34ClN7O/c1-2-32-13-15-33(16-14-32)26(9-4-3-5-10-26)18-31-25(35)19-17-34(24-23(28)29-11-12-30-24)21-8-6-7-20(27)22(19)21/h6-8,11-12,17H,2-5,9-10,13-16,18H2,1H3,(H2,28,29)(H,31,35)
InChIKeyXQTVZACEOUJKKW-UHFFFAOYSA-N
MW496.06 g/mol
LogP3.73
Rot. Bonds6

About 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide

1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide (PubChem CID 70972796) has the molecular formula C26H34ClN7O and a molecular weight of 496.06 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
PubChem CID70972796
Molecular FormulaC26H34ClN7O
Molecular Weight496.06 g/mol
Exact Mass495.25
IUPAC Name1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cn(-c4nccnc4N)c4cccc(Cl)c34)CCCCC2)CC1
InChIInChI=1S/C26H34ClN7O/c1-2-32-13-15-33(16-14-32)26(9-4-3-5-10-26)18-31-25(35)19-17-34(24-23(28)29-11-12-30-24)21-8-6-7-20(27)22(19)21/h6-8,11-12,17H,2-5,9-10,13-16,18H2,1H3,(H2,28,29)(H,31,35)
InChIKeyXQTVZACEOUJKKW-UHFFFAOYSA-N
XLogP3.73
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.06
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide with MolForge

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Related Compounds

4-chloro-1-(3-cyano-2-pyridinyl)-N-[[1-(4-propylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 70972837
4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384
4-chloro-N-[[1-[(3S)-3-(propan-2-ylamino)piperidin-1-yl]cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082166
4-chloro-N-[[1-[(3R)-3-methylpiperazin-1-yl]cycloheptyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 70972844
4-chloro-1-(3-cyano-2-pyridinyl)-N-[[1-[(3S)-3-methylpiperazin-1-yl]cyclohexyl]methyl]indole-3-carboxamide
CID 69084885
4-chloro-1-(3-cyano-2-pyridinyl)-N-[[1-[(3R)-3-methylpiperazin-1-yl]cyclohexyl]methyl]indole-3-carboxamide
CID 70972875
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 70972755
4-chloro-1-(oxetan-3-yl)-N-[[1-(4-phenylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 121393311
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
CID 89482720
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190235

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide (CID 70972796) is 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide is CCN1CCN(C2(CNC(=O)c3cn(-c4nccnc4N)c4cccc(Cl)c34)CCCCC2)CC1.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide?
The InChIKey is XQTVZACEOUJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN7O/c1-2-32-13-15-33(16-14-32)26(9-4-3-5-10-26)18-31-25(35)19-17-34(24-23(28)29-11-12-30-24)21-8-6-7-20(27)22(19)21/h6-8,11-12,17H,2-5,9-10,13-16,18H2,1H3,(H2,28,29)(H,31,35).
What are the key properties of 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide?
1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide has a molecular weight of 496.06 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 70972796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).