6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile

C20H20ClN5O — CID 175377953

IUPAC6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC(C)N1CCc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O
InChIInChI=1S/C20H20ClN5O/c1-11(2)26-4-3-18-17(19(26)27)10-23-20(25-18)24-15-7-12-5-14(21)6-13(9-22)16(12)8-15/h5-6,10-11,15H,3-4,7-8H2,1-2H3,(H,23,24,25)
InChIKeyVQGNZMSFKPZJPM-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.99
Rot. Bonds3

About 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile

6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 175377953) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID175377953
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC(C)N1CCc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O
InChIInChI=1S/C20H20ClN5O/c1-11(2)26-4-3-18-17(19(26)27)10-23-20(25-18)24-15-7-12-5-14(21)6-13(9-22)16(12)8-15/h5-6,10-11,15H,3-4,7-8H2,1-2H3,(H,23,24,25)
InChIKeyVQGNZMSFKPZJPM-UHFFFAOYSA-N
XLogP2.99
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-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

(2S)-6-chloro-2-[(6-ethyl-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 162384926
6-chloro-2-[(5-oxo-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 175388868
6-chloro-2-[[6-(oxetan-3-yl)-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 175377961
(2S)-6-chloro-2-[[5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 167436441
N-(6-chloro-4-prop-1-ynyl-2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine
CID 175394284
[2-[(6-chloro-4-prop-1-ynyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166884407
N-[(1R)-1-(3-chloro-4-cyanophenyl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369905
[2-[[(2S)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
CID 172635906
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 153334406
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile (CID 175377953) is 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile is CC(C)N1CCc2nc(NC3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O.
What is the InChIKey of 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is VQGNZMSFKPZJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-11(2)26-4-3-18-17(19(26)27)10-23-20(25-18)24-15-7-12-5-14(21)6-13(9-22)16(12)8-15/h5-6,10-11,15H,3-4,7-8H2,1-2H3,(H,23,24,25).
What are the key properties of 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile?
6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 381.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-oxo-6-propan-2-yl-7,8-dihydropyrido[4,3-d]pyrimidin-2-yl)amino]-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 175377953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).