(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

C21H16N4O — CID 166722433

IUPAC(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@H]2Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C21H16N4O/c22-11-13-1-4-17-14(9-13)2-5-19(17)23-16-3-6-20-18(10-16)21(25-24-20)15-7-8-26-12-15/h1,3-4,6-10,12,19,23H,2,5H2,(H,24,25)/t19-/m1/s1
InChIKeyZFQMYMSXKAFCRD-LJQANCHMSA-N
MW340.39 g/mol
LogP4.79
Rot. Bonds3

About (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166722433) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166722433
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@H]2Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C21H16N4O/c22-11-13-1-4-17-14(9-13)2-5-19(17)23-16-3-6-20-18(10-16)21(25-24-20)15-7-8-26-12-15/h1,3-4,6-10,12,19,23H,2,5H2,(H,24,25)/t19-/m1/s1
InChIKeyZFQMYMSXKAFCRD-LJQANCHMSA-N
XLogP4.79
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (CID 166722433) is (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc2[nH]nc(-c3ccoc3)c2c1.
What is the InChIKey of (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is ZFQMYMSXKAFCRD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16N4O/c22-11-13-1-4-17-14(9-13)2-5-19(17)23-16-3-6-20-18(10-16)21(25-24-20)15-7-8-26-12-15/h1,3-4,6-10,12,19,23H,2,5H2,(H,24,25)/t19-/m1/s1.
What are the key properties of (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 340.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[3-(furan-3-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 166722433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).