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

C18H16N4 — CID 166728046

IUPAC(3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1[nH]nc2ccc(N[C@@H]3CCc4ccc(C#N)cc43)cc12
InChIInChI=1S/C18H16N4/c1-11-15-9-14(5-7-18(15)22-21-11)20-17-6-4-13-3-2-12(10-19)8-16(13)17/h2-3,5,7-9,17,20H,4,6H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyMVKICZBCMCXIHD-QGZVFWFLSA-N
MW288.35 g/mol
LogP3.84
Rot. Bonds2

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

(3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 166728046) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID166728046
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name(3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCc1[nH]nc2ccc(N[C@@H]3CCc4ccc(C#N)cc43)cc12
InChIInChI=1S/C18H16N4/c1-11-15-9-14(5-7-18(15)22-21-11)20-17-6-4-13-3-2-12(10-19)8-16(13)17/h2-3,5,7-9,17,20H,4,6H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyMVKICZBCMCXIHD-QGZVFWFLSA-N
XLogP3.84
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(3-iodo-2H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850650
(1R)-1-[(3-iodo-2H-indazol-5-yl)amino]-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 166728049
4-[(3-iodo-2H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile
CID 166722476
(8S)-8-[(3-bromo-2H-indazol-5-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156850608
5-[[3-(5-methyl-3-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727942
5-[[3-(4-methylsulfonylphenyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727965
5-[[3-(cyclohexen-1-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722571
5-[[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722421
(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 159554142
3-[5-[(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1H-indazol-3-yl]-N,N-dimethylbenzamide
CID 168727961
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850529
5-[[3-(4-nitrophenyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722544

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile (CID 166728046) is (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile is Cc1[nH]nc2ccc(N[C@@H]3CCc4ccc(C#N)cc43)cc12.
What is the InChIKey of (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is MVKICZBCMCXIHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N4/c1-11-15-9-14(5-7-18(15)22-21-11)20-17-6-4-13-3-2-12(10-19)8-16(13)17/h2-3,5,7-9,17,20H,4,6H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile?
(3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-methyl-2H-indazol-5-yl)amino]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 166728046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).