(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

C19H18ClN5O — CID 162384926

IUPAC(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
SMILESCCN1CCc2nc(N[C@H]3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O
InChIInChI=1S/C19H18ClN5O/c1-2-25-4-3-17-16(18(25)26)10-22-19(24-17)23-14-7-11-5-13(20)6-12(9-21)15(11)8-14/h5-6,10,14H,2-4,7-8H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyBPALWSOYRQASED-AWEZNQCLSA-N
MW367.84 g/mol
LogP2.60
Rot. Bonds3

About (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

(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 (PubChem CID 162384926) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162384926
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name(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
SMILESCCN1CCc2nc(N[C@H]3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O
InChIInChI=1S/C19H18ClN5O/c1-2-25-4-3-17-16(18(25)26)10-22-19(24-17)23-14-7-11-5-13(20)6-12(9-21)15(11)8-14/h5-6,10,14H,2-4,7-8H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyBPALWSOYRQASED-AWEZNQCLSA-N
XLogP2.60
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

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
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
4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
CID 131892795
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-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 151676824
4-amino-2-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 68779068
2-[4-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79556884
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN1CCc2nc(N[C@H]3Cc4cc(Cl)cc(C#N)c4C3)ncc2C1=O.
What is the InChIKey of (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?
The InChIKey is BPALWSOYRQASED-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-2-25-4-3-17-16(18(25)26)10-22-19(24-17)23-14-7-11-5-13(20)6-12(9-21)15(11)8-14/h5-6,10,14H,2-4,7-8H2,1H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 367.84 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162384926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).