3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile

C26H27F2N7O — CID 138580555

IUPAC3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCOc1nc2c(cc1Nc1nccc(-c3cc(C#N)c4c(c3)C(C)(CC(F)F)CN4)n1)CN(C)CC2
InChIInChI=1S/C26H27F2N7O/c1-26(11-22(27)28)14-31-23-16(12-29)8-15(9-18(23)26)19-4-6-30-25(33-19)34-21-10-17-13-35(2)7-5-20(17)32-24(21)36-3/h4,6,8-10,22,31H,5,7,11,13-14H2,1-3H3,(H,30,33,34)
InChIKeyDAFMPCUOKTXUTE-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.49
Rot. Bonds6

About 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile

3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile (PubChem CID 138580555) has the molecular formula C26H27F2N7O and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
PubChem CID138580555
Molecular FormulaC26H27F2N7O
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile
SMILESCOc1nc2c(cc1Nc1nccc(-c3cc(C#N)c4c(c3)C(C)(CC(F)F)CN4)n1)CN(C)CC2
InChIInChI=1S/C26H27F2N7O/c1-26(11-22(27)28)14-31-23-16(12-29)8-15(9-18(23)26)19-4-6-30-25(33-19)34-21-10-17-13-35(2)7-5-20(17)32-24(21)36-3/h4,6,8-10,22,31H,5,7,11,13-14H2,1-3H3,(H,30,33,34)
InChIKeyDAFMPCUOKTXUTE-UHFFFAOYSA-N
XLogP4.49
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The IUPAC name of 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile (CID 138580555) is 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile is COc1nc2c(cc1Nc1nccc(-c3cc(C#N)c4c(c3)C(C)(CC(F)F)CN4)n1)CN(C)CC2.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
The InChIKey is DAFMPCUOKTXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O/c1-26(11-22(27)28)14-31-23-16(12-29)8-15(9-18(23)26)19-4-6-30-25(33-19)34-21-10-17-13-35(2)7-5-20(17)32-24(21)36-3/h4,6,8-10,22,31H,5,7,11,13-14H2,1-3H3,(H,30,33,34).
What are the key properties of 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile?
3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile has a molecular weight of 491.55 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]-3-methyl-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 138580555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).