8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

C26H27N7OS — CID 155458560

IUPAC8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESC[C@H]1CNCCN1c1cc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2s1
InChIInChI=1S/C26H27N7OS/c1-16-14-28-8-9-32(16)23-12-17-11-20(6-7-22(17)35-23)30-26-29-15-19-10-18(13-27)25(34)33(24(19)31-26)21-4-2-3-5-21/h6-7,10-12,15-16,21,28H,2-5,8-9,14H2,1H3,(H,29,30,31)/t16-/m0/s1
InChIKeyRESIBMVSZOERBW-INIZCTEOSA-N
MW485.62 g/mol
LogP4.53
Rot. Bonds4

About 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile

8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 155458560) has the molecular formula C26H27N7OS and a molecular weight of 485.62 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID155458560
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC Name8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESC[C@H]1CNCCN1c1cc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2s1
InChIInChI=1S/C26H27N7OS/c1-16-14-28-8-9-32(16)23-12-17-11-20(6-7-22(17)35-23)30-26-29-15-19-10-18(13-27)25(34)33(24(19)31-26)21-4-2-3-5-21/h6-7,10-12,15-16,21,28H,2-5,8-9,14H2,1H3,(H,29,30,31)/t16-/m0/s1
InChIKeyRESIBMVSZOERBW-INIZCTEOSA-N
XLogP4.53
TPSA98.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

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-7-oxo-2-[(1-oxo-3-piperazin-1-yl-2H-isoquinolin-6-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458784
8-cyclopentyl-7-oxo-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458377
8-cyclopentyl-7-oxo-2-[(2-piperidin-4-yl-1-benzofuran-5-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458829
8-cyclopentyl-2-[[5-[2-(dimethylamino)ethyl]naphthalen-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458554
8-cyclopentyl-7-oxo-2-[(2-oxo-1-piperidin-4-yl-4-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458454
8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458658
2-(1,3-benzothiazol-2-ylamino)-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458382
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581
8-cyclopentyl-2-[[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458853
2-[[1-(1-acetylpiperidin-4-yl)indol-5-yl]amino]-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458409
8-cyclopentyl-7-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572426

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 155458560) is 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is C[C@H]1CNCCN1c1cc2cc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)ccc2s1.
What is the InChIKey of 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is RESIBMVSZOERBW-INIZCTEOSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-16-14-28-8-9-32(16)23-12-17-11-20(6-7-22(17)35-23)30-26-29-15-19-10-18(13-27)25(34)33(24(19)31-26)21-4-2-3-5-21/h6-7,10-12,15-16,21,28H,2-5,8-9,14H2,1H3,(H,29,30,31)/t16-/m0/s1.
What are the key properties of 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile?
8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 485.62 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[2-[(2S)-2-methylpiperazin-1-yl]-1-benzothiophen-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 155458560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).