(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C21H17N5O2 — CID 156850835

IUPAC(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H17N5O2/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)28-13-3-5-17-15(7-13)21(26-25-17)19-9-23-10-27-19/h3,5,7,9-10,18H,4,6H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeySSNFTUCHXGYCPI-GOSISDBHSA-N
MW371.40 g/mol
LogP4.17
Rot. Bonds3

About (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 156850835) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID156850835
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H17N5O2/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)28-13-3-5-17-15(7-13)21(26-25-17)19-9-23-10-27-19/h3,5,7,9-10,18H,4,6H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeySSNFTUCHXGYCPI-GOSISDBHSA-N
XLogP4.17
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

(S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11633229
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole
CID 126481269
(5S)-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156851093
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
ethyl 3-cyano-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791591
(2S)-1-[[5-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(furan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69452074
(1R)-6-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850540
(5R)-3-fluoro-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850552
(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850611
(1R)-4-fluoro-1-[[3-(2-methyl-1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850623
(1S)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850700
4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850751

Frequently Asked Questions

What is the IUPAC name of (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 156850835) is (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nc2c(c(C)c1C#N)CC[C@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is SSNFTUCHXGYCPI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)28-13-3-5-17-15(7-13)21(26-25-17)19-9-23-10-27-19/h3,5,7,9-10,18H,4,6H2,1-2H3,(H,25,26)/t18-/m1/s1.
What are the key properties of (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
(7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 156850835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).