3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

C24H29FN6OS — CID 130203469

IUPAC3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ncc(N4CCNCC4)cc3F)cc2c1C1CCCC1
InChIInChI=1S/C24H29FN6OS/c1-30(2)24(32)22-21(15-5-3-4-6-15)17-12-20(27-14-19(17)33-22)29-23-18(25)11-16(13-28-23)31-9-7-26-8-10-31/h11-15,26H,3-10H2,1-2H3,(H,27,28,29)
InChIKeyQRHARYOGHQSMND-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.34
Rot. Bonds5

About 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 130203469) has the molecular formula C24H29FN6OS and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID130203469
Molecular FormulaC24H29FN6OS
Molecular Weight468.60 g/mol
Exact Mass468.21
IUPAC Name3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2cnc(Nc3ncc(N4CCNCC4)cc3F)cc2c1C1CCCC1
InChIInChI=1S/C24H29FN6OS/c1-30(2)24(32)22-21(15-5-3-4-6-15)17-12-20(27-14-19(17)33-22)29-23-18(25)11-16(13-28-23)31-9-7-26-8-10-31/h11-15,26H,3-10H2,1-2H3,(H,27,28,29)
InChIKeyQRHARYOGHQSMND-UHFFFAOYSA-N
XLogP4.34
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

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-N,N-dimethyl-5-[[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203692
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-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
CID 130203700
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-[(3R)-3-(hydroxymethyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
CID 118553640
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
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
7-cyclopentyl-N,N-dimethyl-2-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]thieno[3,2-d]pyrimidine-6-carboxamide
CID 118553468
5-chloro-3-cyclopentylthieno[2,3-c]pyridine-2-carboxylic acid
CID 129175014
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
3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine
CID 145343369

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (CID 130203469) is 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)c1sc2cnc(Nc3ncc(N4CCNCC4)cc3F)cc2c1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QRHARYOGHQSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6OS/c1-30(2)24(32)22-21(15-5-3-4-6-15)17-12-20(27-14-19(17)33-22)29-23-18(25)11-16(13-28-23)31-9-7-26-8-10-31/h11-15,26H,3-10H2,1-2H3,(H,27,28,29).
What are the key properties of 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(3-fluoro-5-piperazin-1-yl-2-pyridinyl)amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130203469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).