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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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).