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

C21H18N6O — CID 168727970

IUPAC2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)CCC2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H18N6O/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)25-13-3-5-17-15(7-13)21(27-26-17)19-9-23-10-28-19/h3,5,7,9-10,18,25H,4,6H2,1-2H3,(H,26,27)
InChIKeyFHXSDFRZOZNOBT-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.20
Rot. Bonds3

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

2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 168727970) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID168727970
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)CCC2Nc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C21H18N6O/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)25-13-3-5-17-15(7-13)21(27-26-17)19-9-23-10-28-19/h3,5,7,9-10,18,25H,4,6H2,1-2H3,(H,26,27)
InChIKeyFHXSDFRZOZNOBT-UHFFFAOYSA-N
XLogP4.20
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
(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
(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
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850529
(1S)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850944
3-bromo-4-chloro-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 156850826
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
CID 163743127
(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
(8S)-2-methoxy-8-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727990
(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 166727908
(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722473

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 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) is 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nc2c(c(C)c1C#N)CCC2Nc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is FHXSDFRZOZNOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-11-14-4-6-18(20(14)24-12(2)16(11)8-22)25-13-3-5-17-15(7-13)21(27-26-17)19-9-23-10-28-19/h3,5,7,9-10,18,25H,4,6H2,1-2H3,(H,26,27).
What are the key properties of 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 370.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 168727970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).