(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

C21H17N5O — CID 156850529

IUPAC(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1[C@H](Nc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
InChIInChI=1S/C21H17N5O/c1-12-6-13(9-22)7-14-2-4-18(20(12)14)24-15-3-5-17-16(8-15)21(26-25-17)19-10-23-11-27-19/h3,5-8,10-11,18,24H,2,4H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyQRDZMQHUYOCOOB-GOSISDBHSA-N
MW355.40 g/mol
LogP4.50
Rot. Bonds3

About (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile

(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 156850529) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID156850529
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1cc(C#N)cc2c1[C@H](Nc1ccc3[nH]nc(-c4cnco4)c3c1)CC2
InChIInChI=1S/C21H17N5O/c1-12-6-13(9-22)7-14-2-4-18(20(12)14)24-15-3-5-17-16(8-15)21(26-25-17)19-10-23-11-27-19/h3,5-8,10-11,18,24H,2,4H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyQRDZMQHUYOCOOB-GOSISDBHSA-N
XLogP4.50
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850944
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850668
(8R)-4-methyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851145
(8S)-4-methyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727871
2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 168727970
(8S)-2,4-dimethyl-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727717
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
CID 163743127
(4R)-4-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-4,5,6,7-tetrahydro-1,3-benzoxazole-2-carbonitrile
CID 166727894
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
(1R)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163836572
CID 174061080
CID 174061080
5-[[3-(5-methyl-3-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727942

Frequently Asked Questions

What is the IUPAC name of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile (CID 156850529) is (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1cc(C#N)cc2c1[C@H](Nc1ccc3[nH]nc(-c4cnco4)c3c1)CC2.
What is the InChIKey of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is QRDZMQHUYOCOOB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17N5O/c1-12-6-13(9-22)7-14-2-4-18(20(12)14)24-15-3-5-17-16(8-15)21(26-25-17)19-10-23-11-27-19/h3,5-8,10-11,18,24H,2,4H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile?
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 156850529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).