8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C28H32N6O — CID 155458874

IUPAC8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN1CCC(c2ccc3c(c2)CCC(Nc2ncc4cc(C#N)c(=O)n(C5CCCC5)c4n2)C3)C1
InChIInChI=1S/C28H32N6O/c1-33-11-10-21(17-33)19-6-7-20-14-24(9-8-18(20)12-19)31-28-30-16-23-13-22(15-29)27(35)34(26(23)32-28)25-4-2-3-5-25/h6-7,12-13,16,21,24-25H,2-5,8-11,14,17H2,1H3,(H,30,31,32)
InChIKeyDXMNYWLJQSNBKM-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.17
Rot. Bonds4

About 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458874) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458874
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN1CCC(c2ccc3c(c2)CCC(Nc2ncc4cc(C#N)c(=O)n(C5CCCC5)c4n2)C3)C1
InChIInChI=1S/C28H32N6O/c1-33-11-10-21(17-33)19-6-7-20-14-24(9-8-18(20)12-19)31-28-30-16-23-13-22(15-29)27(35)34(26(23)32-28)25-4-2-3-5-25/h6-7,12-13,16,21,24-25H,2-5,8-11,14,17H2,1H3,(H,30,31,32)
InChIKeyDXMNYWLJQSNBKM-UHFFFAOYSA-N
XLogP4.17
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
8-cyclopentyl-2-[[2-(1-methylpiperidin-4-yl)-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458828
8-cyclopentyl-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;4-(1-methylpiperidin-4-yl)aniline
CID 167710440
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
8-cyclopentyl-2-[[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458853
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167674624
8-cyclopentyl-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458866
8-cyclopentyl-7-oxo-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572173
8-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458765

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458874) is 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is CN1CCC(c2ccc3c(c2)CCC(Nc2ncc4cc(C#N)c(=O)n(C5CCCC5)c4n2)C3)C1.
What is the InChIKey of 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is DXMNYWLJQSNBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-33-11-10-21(17-33)19-6-7-20-14-24(9-8-18(20)12-19)31-28-30-16-23-13-22(15-29)27(35)34(26(23)32-28)25-4-2-3-5-25/h6-7,12-13,16,21,24-25H,2-5,8-11,14,17H2,1H3,(H,30,31,32).
What are the key properties of 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 468.61 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[6-(1-methylpyrrolidin-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).