10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

C26H21ClF2N6O2S — CID 129212497

IUPAC10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
SMILESCc1cc(C(C)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5cccnc5CC34c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C26H21ClF2N6O2S/c1-15-12-21(25(2,28)29)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)18-4-3-9-30-19(18)13-26(33,34)16-5-7-17(27)8-6-16/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeySDQFZFRKFINYPS-UHFFFAOYSA-N
MW555.01 g/mol
LogP4.80
Rot. Bonds4

About 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one

10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (PubChem CID 129212497) has the molecular formula C26H21ClF2N6O2S and a molecular weight of 555.01 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
PubChem CID129212497
Molecular FormulaC26H21ClF2N6O2S
Molecular Weight555.01 g/mol
Exact Mass554.11
IUPAC Name10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one
SMILESCc1cc(C(C)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5cccnc5CC34c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C26H21ClF2N6O2S/c1-15-12-21(25(2,28)29)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)18-4-3-9-30-19(18)13-26(33,34)16-5-7-17(27)8-6-16/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeySDQFZFRKFINYPS-UHFFFAOYSA-N
XLogP4.80
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.01
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The IUPAC name of 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one (CID 129212497) is 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one.
What is the SMILES notation for 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The canonical SMILES for 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is Cc1cc(C(C)(F)F)n(-c2nc(C(=O)N3CCN4C(=O)c5cccnc5CC34c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
The InChIKey is SDQFZFRKFINYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N6O2S/c1-15-12-21(25(2,28)29)35(32-15)24-31-20(14-38-24)23(37)34-11-10-33-22(36)18-4-3-9-30-19(18)13-26(33,34)16-5-7-17(27)8-6-16/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one?
10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one has a molecular weight of 555.01 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(4-chlorophenyl)-1-[2-[5-(1,1-difluoroethyl)-3-methylpyrazol-1-yl]-1,3-thiazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-g][1,6]naphthyridin-5-one is sourced from PubChem (CID 129212497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).