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

C25H25ClF3N5O2 — CID 44530112

IUPAC4-[(5,7-difluoro-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(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1.Cl
InChIInChI=1S/C25H24F3N5O2.ClH/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);1H
InChIKeyVIHXYIMROPMQFX-UHFFFAOYSA-N
MW519.96 g/mol
LogP5.25
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;hydrochloride

4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 44530112) has the molecular formula C25H25ClF3N5O2 and a molecular weight of 519.96 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;hydrochloride.

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;hydrochloride
PubChem CID44530112
Molecular FormulaC25H25ClF3N5O2
Molecular Weight519.96 g/mol
Exact Mass519.16
IUPAC Name4-[(5,7-difluoro-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(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1.Cl
InChIInChI=1S/C25H24F3N5O2.ClH/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);1H
InChIKeyVIHXYIMROPMQFX-UHFFFAOYSA-N
XLogP5.25
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.96
LogP ≤ 55.25
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;hydrochloride with MolForge

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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;hydrochloride?
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;hydrochloride (CID 44530112) is 4-[(5,7-difluoro-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-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
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;hydrochloride is COc1ccc2ncc(F)c(NC(=O)C3CCC(NCc4cc5cc(F)cc(F)c5[nH]4)CC3)c2n1.Cl.
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;hydrochloride?
The InChIKey is VIHXYIMROPMQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2.ClH/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);1H.
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;hydrochloride?
4-[(5,7-difluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 519.96 g/mol, XLogP of 5.25, 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;hydrochloride is sourced from PubChem (CID 44530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).