N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C27H36N6O — CID 70972755

IUPACN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cn(-c4ccccn4)c4nccc(C)c34)CCCCC2)CC1
InChIInChI=1S/C27H36N6O/c1-3-31-15-17-32(18-16-31)27(11-6-4-7-12-27)20-30-26(34)22-19-33(23-9-5-8-13-28-23)25-24(22)21(2)10-14-29-25/h5,8-10,13-14,19H,3-4,6-7,11-12,15-18,20H2,1-2H3,(H,30,34)
InChIKeyHXAJUHRPJYUADH-UHFFFAOYSA-N
MW460.63 g/mol
LogP3.80
Rot. Bonds6

About N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 70972755) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID70972755
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC NameN-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCN1CCN(C2(CNC(=O)c3cn(-c4ccccn4)c4nccc(C)c34)CCCCC2)CC1
InChIInChI=1S/C27H36N6O/c1-3-31-15-17-32(18-16-31)27(11-6-4-7-12-27)20-30-26(34)22-19-33(23-9-5-8-13-28-23)25-24(22)21(2)10-14-29-25/h5,8-10,13-14,19H,3-4,6-7,11-12,15-18,20H2,1-2H3,(H,30,34)
InChIKeyHXAJUHRPJYUADH-UHFFFAOYSA-N
XLogP3.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(3-aminopyrazin-2-yl)-4-chloro-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 70972796
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CID 35672039
4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012384
4-chloro-1-(3-cyano-2-pyridinyl)-N-[[1-(4-propylpiperazin-1-yl)cyclohexyl]methyl]indole-3-carboxamide
CID 70972837
4-chloro-N-[[1-[(3R)-3-methylpiperazin-1-yl]cycloheptyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 70972844
4-chloro-N-[[1-[(3S)-3-(propan-2-ylamino)piperidin-1-yl]cyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69082166
1-ethyl-7-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 29111432
(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide
CID 35579835
N-[(1-hydroxycyclohexyl)methyl]-4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69082241
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 25190235
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
CID 20994940
2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 56672420

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 70972755) is N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is CCN1CCN(C2(CNC(=O)c3cn(-c4ccccn4)c4nccc(C)c34)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HXAJUHRPJYUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-3-31-15-17-32(18-16-31)27(11-6-4-7-12-27)20-30-26(34)22-19-33(23-9-5-8-13-28-23)25-24(22)21(2)10-14-29-25/h5,8-10,13-14,19H,3-4,6-7,11-12,15-18,20H2,1-2H3,(H,30,34).
What are the key properties of N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 460.63 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]-4-methyl-1-pyridin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 70972755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).