4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C25H24F3N5O2 — CID 44530113

IUPAC4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1
InChIInChI=1S/C25H24F3N5O2/c1-35-21-7-6-20-24(32-21)23(19(28)12-30-20)33-25(34)13-2-4-16(5-3-13)29-11-17-9-14-8-15(26)10-18(27)22(14)31-17/h6-10,12-13,16,29,31H,2-5,11H2,1H3,(H,30,33,34)
InChIKeyPCSBXBFVHLJQMK-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.82
Rot. Bonds6

About 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 44530113) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID44530113
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1
InChIInChI=1S/C25H24F3N5O2/c1-35-21-7-6-20-24(32-21)23(19(28)12-30-20)33-25(34)13-2-4-16(5-3-13)29-11-17-9-14-8-15(26)10-18(27)22(14)31-17/h6-10,12-13,16,29,31H,2-5,11H2,1H3,(H,30,33,34)
InChIKeyPCSBXBFVHLJQMK-UHFFFAOYSA-N
XLogP4.82
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 91800757
(1R)-2-[4-[(4,7-difluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 44535182
4-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10343587
N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxy-4-[[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]methyl]cyclopentane-1-carboxamide
CID 73019677
(1R)-4-[(7-fluoro-3-oxo-4,9-dihydro-[1,4]thiazino[3,2-b]azepin-6-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)cycloheptane-1-carboxamide;methanol
CID 142817627
5-[3-(2,5-difluorophenyl)prop-2-enylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-2-carboxamide
CID 69077283
N-[4-[(4-chloro-3-pyridinyl)carbamoyl]cyclohexyl]-6-methoxy-1,5-naphthyridine-4-carboxamide
CID 134497899
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 143269696
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;(1S,3S,4S)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 158104201
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10414057
N-[(3,4-difluorophenyl)methyl]-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503160

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 44530113) is 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1.
What is the InChIKey of 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PCSBXBFVHLJQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-35-21-7-6-20-24(32-21)23(19(28)12-30-20)33-25(34)13-2-4-16(5-3-13)29-11-17-9-14-8-15(26)10-18(27)22(14)31-17/h6-10,12-13,16,29,31H,2-5,11H2,1H3,(H,30,33,34).
What are the key properties of 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 44530113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).