1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide

C26H32ClN5O2 — CID 70972802

IUPAC1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
SMILESNC1(Cn2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)c3c(Cl)cccc32)CCCC1
InChIInChI=1S/C26H32ClN5O2/c27-21-6-3-7-22-24(21)20(17-32(22)18-26(28)8-1-2-9-26)25(33)30-16-23(19-5-4-10-29-15-19)31-11-13-34-14-12-31/h3-7,10,15,17,23H,1-2,8-9,11-14,16,18,28H2,(H,30,33)
InChIKeyJYYNWTYXLAHJHL-UHFFFAOYSA-N
MW482.03 g/mol
LogP3.76
Rot. Bonds7

About 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide

1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide (PubChem CID 70972802) has the molecular formula C26H32ClN5O2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
PubChem CID70972802
Molecular FormulaC26H32ClN5O2
Molecular Weight482.03 g/mol
Exact Mass481.22
IUPAC Name1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
SMILESNC1(Cn2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)c3c(Cl)cccc32)CCCC1
InChIInChI=1S/C26H32ClN5O2/c27-21-6-3-7-22-24(21)20(17-32(22)18-26(28)8-1-2-9-26)25(33)30-16-23(19-5-4-10-29-15-19)31-11-13-34-14-12-31/h3-7,10,15,17,23H,1-2,8-9,11-14,16,18,28H2,(H,30,33)
InChIKeyJYYNWTYXLAHJHL-UHFFFAOYSA-N
XLogP3.76
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-2-oxoethyl)-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide
CID 69084825
4-chloro-N-[2-(5-fluoro-3-pyridinyl)-2-morpholin-4-ylethyl]-1-pyrimidin-2-ylindole-3-carboxamide
CID 69083928
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
4-chloro-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
CID 126445573
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131922960
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The IUPAC name of 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide (CID 70972802) is 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The canonical SMILES for 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide is NC1(Cn2cc(C(=O)NCC(c3cccnc3)N3CCOCC3)c3c(Cl)cccc32)CCCC1.
What is the InChIKey of 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
The InChIKey is JYYNWTYXLAHJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O2/c27-21-6-3-7-22-24(21)20(17-32(22)18-26(28)8-1-2-9-26)25(33)30-16-23(19-5-4-10-29-15-19)31-11-13-34-14-12-31/h3-7,10,15,17,23H,1-2,8-9,11-14,16,18,28H2,(H,30,33).
What are the key properties of 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide?
1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide has a molecular weight of 482.03 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclopentyl)methyl]-4-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)indole-3-carboxamide is sourced from PubChem (CID 70972802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).