(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile

C20H13F2N5O — CID 163743127

IUPAC(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(F)(F)[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H13F2N5O/c21-20(22)7-12-5-11(8-23)1-3-14(12)19(20)25-13-2-4-16-15(6-13)18(27-26-16)17-9-24-10-28-17/h1-6,9-10,19,25H,7H2,(H,26,27)/t19-/m1/s1
InChIKeyLJMUYHYEDSVMBX-LJQANCHMSA-N
MW377.35 g/mol
LogP4.43
Rot. Bonds3

About (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile

(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile (PubChem CID 163743127) has the molecular formula C20H13F2N5O and a molecular weight of 377.35 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
PubChem CID163743127
Molecular FormulaC20H13F2N5O
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC Name(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC(F)(F)[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C20H13F2N5O/c21-20(22)7-12-5-11(8-23)1-3-14(12)19(20)25-13-2-4-16-15(6-13)18(27-26-16)17-9-24-10-28-17/h1-6,9-10,19,25H,7H2,(H,26,27)/t19-/m1/s1
InChIKeyLJMUYHYEDSVMBX-LJQANCHMSA-N
XLogP4.43
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile?
The IUPAC name of (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile (CID 163743127) is (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile.
What is the SMILES notation for (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile?
The canonical SMILES for (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile is N#Cc1ccc2c(c1)CC(F)(F)[C@@H]2Nc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile?
The InChIKey is LJMUYHYEDSVMBX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H13F2N5O/c21-20(22)7-12-5-11(8-23)1-3-14(12)19(20)25-13-2-4-16-15(6-13)18(27-26-16)17-9-24-10-28-17/h1-6,9-10,19,25H,7H2,(H,26,27)/t19-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile?
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile has a molecular weight of 377.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile is sourced from PubChem (CID 163743127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).