3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine

C23H29N5S — CID 145343369

IUPAC3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine
SMILESCc1sc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)cc2c1C1CCCC1
InChIInChI=1S/C23H29N5S/c1-16-23(17-5-3-4-6-17)19-13-22(25-15-20(19)29-16)26-21-8-7-18(14-24-21)28-11-9-27(2)10-12-28/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,24,25,26)
InChIKeyNCYZHQGZEMCXAJ-UHFFFAOYSA-N
MW407.59 g/mol
LogP5.15
Rot. Bonds4

About 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine

3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine (PubChem CID 145343369) has the molecular formula C23H29N5S and a molecular weight of 407.59 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine
PubChem CID145343369
Molecular FormulaC23H29N5S
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC Name3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine
SMILESCc1sc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)cc2c1C1CCCC1
InChIInChI=1S/C23H29N5S/c1-16-23(17-5-3-4-6-17)19-13-22(25-15-20(19)29-16)26-21-8-7-18(14-24-21)28-11-9-27(2)10-12-28/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,24,25,26)
InChIKeyNCYZHQGZEMCXAJ-UHFFFAOYSA-N
XLogP5.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine with MolForge

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Related Compounds

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-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine
CID 145343335
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 171350063
3-cyclopentyl-2-methyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)pyrazin-2-yl]thieno[2,3-c]pyridin-5-amine;N-methylformamide
CID 145343351
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
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-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
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
4-N-cycloheptyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112863913
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501362

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine?
The IUPAC name of 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine (CID 145343369) is 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine.
What is the SMILES notation for 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine?
The canonical SMILES for 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine is Cc1sc2cnc(Nc3ccc(N4CCN(C)CC4)cn3)cc2c1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine?
The InChIKey is NCYZHQGZEMCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S/c1-16-23(17-5-3-4-6-17)19-13-22(25-15-20(19)29-16)26-21-8-7-18(14-24-21)28-11-9-27(2)10-12-28/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,24,25,26).
What are the key properties of 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine?
3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine has a molecular weight of 407.59 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[2,3-c]pyridin-5-amine is sourced from PubChem (CID 145343369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).