4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride

C25H26ClF2N5O2 — CID 44529925

IUPAC4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5c(F)cccc5[nH]4)CC3)c2n1.Cl
InChIInChI=1S/C25H25F2N5O2.ClH/c1-34-22-10-9-21-24(31-22)23(19(27)13-29-21)32-25(33)14-5-7-15(8-6-14)28-12-16-11-17-18(26)3-2-4-20(17)30-16;/h2-4,9-11,13-15,28,30H,5-8,12H2,1H3,(H,29,32,33);1H
InChIKeyACFTXNZNXXXQPE-UHFFFAOYSA-N
MW501.97 g/mol
LogP5.11
Rot. Bonds6

About 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride

4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 44529925) has the molecular formula C25H26ClF2N5O2 and a molecular weight of 501.97 g/mol. Its IUPAC name is 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID44529925
Molecular FormulaC25H26ClF2N5O2
Molecular Weight501.97 g/mol
Exact Mass501.17
IUPAC Name4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5c(F)cccc5[nH]4)CC3)c2n1.Cl
InChIInChI=1S/C25H25F2N5O2.ClH/c1-34-22-10-9-21-24(31-22)23(19(27)13-29-21)32-25(33)14-5-7-15(8-6-14)28-12-16-11-17-18(26)3-2-4-20(17)30-16;/h2-4,9-11,13-15,28,30H,5-8,12H2,1H3,(H,29,32,33);1H
InChIKeyACFTXNZNXXXQPE-UHFFFAOYSA-N
XLogP5.11
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.97
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11569290
7-(4-(4-(1H-Indol-4-yl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 131801153
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
CID 155524775
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
CID 155547149
4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
CID 44535234
N-(4-methoxyphenyl)-Nalpha-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-tryptophanamide
CID 16405133
N-[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 44529309
(2S)-3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)propanoylamino]-N-pyridin-4-ylpropanamide
CID 72703897
(2S)-2-amino-3-(1H-indol-3-yl)-N-[6-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]propanamide;dihydrochloride
CID 155532503
(2S)-2-amino-3-(1H-indol-3-yl)-N-[5-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl]propanamide;dihydrochloride
CID 155535996
(2S)-2-amino-3-(1H-indol-3-yl)-N-[4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]propanamide;dihydrochloride
CID 155537306

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride (CID 44529925) is 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride is COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5c(F)cccc5[nH]4)CC3)c2n1.Cl.
What is the InChIKey of 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ACFTXNZNXXXQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2.ClH/c1-34-22-10-9-21-24(31-22)23(19(27)13-29-21)32-25(33)14-5-7-15(8-6-14)28-12-16-11-17-18(26)3-2-4-20(17)30-16;/h2-4,9-11,13-15,28,30H,5-8,12H2,1H3,(H,29,32,33);1H.
What are the key properties of 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 501.97 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 44529925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).