3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine

C28H39N7S — CID 145343335

IUPAC3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine
SMILESCCN1CCC(N2CCN(c3cnc(Nc4cc5c(C6CCCC6)c(C)sc5cn4)cn3)CC2)CC1
InChIInChI=1S/C28H39N7S/c1-3-33-10-8-22(9-11-33)34-12-14-35(15-13-34)27-19-30-26(18-31-27)32-25-16-23-24(17-29-25)36-20(2)28(23)21-6-4-5-7-21/h16-19,21-22H,3-15H2,1-2H3,(H,29,30,32)
InChIKeyDQMIYLTVJPJASO-UHFFFAOYSA-N
MW505.74 g/mol
LogP5.40
Rot. Bonds6

About 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine

3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine (PubChem CID 145343335) has the molecular formula C28H39N7S and a molecular weight of 505.74 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine
PubChem CID145343335
Molecular FormulaC28H39N7S
Molecular Weight505.74 g/mol
Exact Mass505.30
IUPAC Name3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine
SMILESCCN1CCC(N2CCN(c3cnc(Nc4cc5c(C6CCCC6)c(C)sc5cn4)cn3)CC2)CC1
InChIInChI=1S/C28H39N7S/c1-3-33-10-8-22(9-11-33)34-12-14-35(15-13-34)27-19-30-26(18-31-27)32-25-16-23-24(17-29-25)36-20(2)28(23)21-6-4-5-7-21/h16-19,21-22H,3-15H2,1-2H3,(H,29,30,32)
InChIKeyDQMIYLTVJPJASO-UHFFFAOYSA-N
XLogP5.40
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.74
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 45482705
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482709
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-c]pyridin-6-yl)pyridin-2-amine
CID 45482746
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyrazin-2-amine
CID 45482752
N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-pyridinyl]acetamide
CID 45482753
1-(5-Ethylthiophen-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492981
N-cyclopentyl-11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 141760860
N-(4,6-dimethyl-2-pyridinyl)-4-thieno[2,3-c]pyridin-7-ylpiperazine-1-carbothioamide
CID 53257125
1-[3-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]thiophen-2-yl]-2-pyridinyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 16749728
N-(6-(4-Ethylpiperazin-1-yl)pyridin-3-yl)-7-(quinolin-3-yl)thieno[3,2-d]pyrimidin-2-amine
CID 52931947
N-(5-piperazin-1-yl-2-pyridinyl)-8-(thiophen-2-ylmethyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299958
N-(5-piperazin-1-yl-2-pyridinyl)-8-(thiophen-3-ylmethyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300203

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine?
The IUPAC name of 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) is 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine.
What is the SMILES notation for 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine?
The canonical SMILES for 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine is CCN1CCC(N2CCN(c3cnc(Nc4cc5c(C6CCCC6)c(C)sc5cn4)cn3)CC2)CC1.
What is the InChIKey of 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine?
The InChIKey is DQMIYLTVJPJASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N7S/c1-3-33-10-8-22(9-11-33)34-12-14-35(15-13-34)27-19-30-26(18-31-27)32-25-16-23-24(17-29-25)36-20(2)28(23)21-6-4-5-7-21/h16-19,21-22H,3-15H2,1-2H3,(H,29,30,32).
What are the key properties of 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine?
3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine has a molecular weight of 505.74 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyrazin-2-yl]-2-methylthieno[2,3-c]pyridin-5-amine is sourced from PubChem (CID 145343335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).