7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide

C24H31N7O2S — CID 118553640

IUPAC7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ccc(N4CCN[C@@H](CO)C4)cn3)nc2c1C1CCCC1
InChIInChI=1S/C24H31N7O2S/c1-30(2)23(33)22-20(15-5-3-4-6-15)21-18(34-22)12-27-24(29-21)28-19-8-7-17(11-26-19)31-10-9-25-16(13-31)14-32/h7-8,11-12,15-16,25,32H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28,29)/t16-/m1/s1
InChIKeyWQCOWEKRICFEGG-MRXNPFEDSA-N
MW481.63 g/mol
LogP2.96
Rot. Bonds6

About 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 118553640) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID118553640
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ccc(N4CCN[C@@H](CO)C4)cn3)nc2c1C1CCCC1
InChIInChI=1S/C24H31N7O2S/c1-30(2)23(33)22-20(15-5-3-4-6-15)21-18(34-22)12-27-24(29-21)28-19-8-7-17(11-26-19)31-10-9-25-16(13-31)14-32/h7-8,11-12,15-16,25,32H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28,29)/t16-/m1/s1
InChIKeyWQCOWEKRICFEGG-MRXNPFEDSA-N
XLogP2.96
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 118553468
2-[7-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[3,2-d]pyrimidin-6-yl]-3-hydroxyazetidine-1-carbaldehyde
CID 130422229
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203692
3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 130203469
3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203700
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 129161390
7-cyclopentyl-2-[[5-[4-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide (CID 118553640) is 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1sc2cnc(Nc3ccc(N4CCN[C@@H](CO)C4)cn3)nc2c1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is WQCOWEKRICFEGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-30(2)23(33)22-20(15-5-3-4-6-15)21-18(34-22)12-27-24(29-21)28-19-8-7-17(11-26-19)31-10-9-25-16(13-31)14-32/h7-8,11-12,15-16,25,32H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28,29)/t16-/m1/s1.
What are the key properties of 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).