(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone

C26H21ClF3N5O — CID 155739023

IUPAC(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C26H21ClF3N5O/c27-17-6-2-1-5-16(17)23(36)35-12-3-7-18-20(35)8-9-21(32-18)25(10-4-11-25)24-33-19-13-15(26(28,29)30)14-31-22(19)34-24/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,31,33,34)
InChIKeyMAUVGVGCMKPKJP-UHFFFAOYSA-N
MW511.94 g/mol
LogP6.09
Rot. Bonds3

About (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone

(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone (PubChem CID 155739023) has the molecular formula C26H21ClF3N5O and a molecular weight of 511.94 g/mol. Its IUPAC name is (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
PubChem CID155739023
Molecular FormulaC26H21ClF3N5O
Molecular Weight511.94 g/mol
Exact Mass511.14
IUPAC Name(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21
InChIInChI=1S/C26H21ClF3N5O/c27-17-6-2-1-5-16(17)23(36)35-12-3-7-18-20(35)8-9-21(32-18)25(10-4-11-25)24-33-19-13-15(26(28,29)30)14-31-22(19)34-24/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,31,33,34)
InChIKeyMAUVGVGCMKPKJP-UHFFFAOYSA-N
XLogP6.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.94
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone (CID 155739023) is (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21.
What is the InChIKey of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?
The InChIKey is MAUVGVGCMKPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O/c27-17-6-2-1-5-16(17)23(36)35-12-3-7-18-20(35)8-9-21(32-18)25(10-4-11-25)24-33-19-13-15(26(28,29)30)14-31-22(19)34-24/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2,(H,31,33,34).
What are the key properties of (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone?
(2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone has a molecular weight of 511.94 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[6-[1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]methanone is sourced from PubChem (CID 155739023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).