3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

C24H31N7OS — CID 130203692

IUPAC3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1
InChIInChI=1S/C24H31N7OS/c1-29(2)23(32)22-21(16-6-4-5-7-16)18-12-20(25-15-19(18)33-22)28-24-26-13-17(14-27-24)31-10-8-30(3)9-11-31/h12-16H,4-11H2,1-3H3,(H,25,26,27,28)
InChIKeyMQCWOLLRJQDPTG-UHFFFAOYSA-N
MW465.63 g/mol
LogP3.94
Rot. Bonds5

About 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 130203692) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID130203692
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC Name3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1
InChIInChI=1S/C24H31N7OS/c1-29(2)23(32)22-21(16-6-4-5-7-16)18-12-20(25-15-19(18)33-22)28-24-26-13-17(14-27-24)31-10-8-30(3)9-11-31/h12-16H,4-11H2,1-3H3,(H,25,26,27,28)
InChIKeyMQCWOLLRJQDPTG-UHFFFAOYSA-N
XLogP3.94
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide 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

3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203700
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-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203825
5-[[5-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-3-fluoro-2-pyridinyl]amino]-3-cyclopentyl-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 130203468
3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine
CID 145343369
5-[amino-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]amino]-3-cyclopentyl-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 130203706
7-cyclopentyl-2-[[5-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
CID 118553640
7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 118553468
N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 129161390
5-[amino-[3-fluoro-5-(1,4,7-oxadiazecan-7-yl)-2-pyridinyl]amino]-3-cyclopentyl-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 130203465
3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide
CID 145343393
5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
CID 129175014

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (CID 130203692) is 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is CN1CCN(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1.
What is the InChIKey of 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is MQCWOLLRJQDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-29(2)23(32)22-21(16-6-4-5-7-16)18-12-20(25-15-19(18)33-22)28-24-26-13-17(14-27-24)31-10-8-30(3)9-11-31/h12-16H,4-11H2,1-3H3,(H,25,26,27,28).
What are the key properties of 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 465.63 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130203692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).