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

C25H32N6OS — CID 130203700

IUPAC3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCC(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1
InChIInChI=1S/C25H32N6OS/c1-30(2)24(32)23-22(17-6-4-5-7-17)19-12-21(26-15-20(19)33-23)29-25-27-13-18(14-28-25)16-8-10-31(3)11-9-16/h12-17H,4-11H2,1-3H3,(H,26,27,28,29)
InChIKeyUGRBZFGFAYJQKX-UHFFFAOYSA-N
MW464.64 g/mol
LogP5.00
Rot. Bonds5

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

3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 130203700) has the molecular formula C25H32N6OS and a molecular weight of 464.64 g/mol. Its IUPAC name is 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID130203700
Molecular FormulaC25H32N6OS
Molecular Weight464.64 g/mol
Exact Mass464.24
IUPAC Name3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCC(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1
InChIInChI=1S/C25H32N6OS/c1-30(2)24(32)23-22(17-6-4-5-7-17)19-12-21(26-15-20(19)33-23)29-25-27-13-18(14-28-25)16-8-10-31(3)11-9-16/h12-17H,4-11H2,1-3H3,(H,26,27,28,29)
InChIKeyUGRBZFGFAYJQKX-UHFFFAOYSA-N
XLogP5.00
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (CID 130203700) is 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is CN1CCC(c2cnc(Nc3cc4c(C5CCCC5)c(C(=O)N(C)C)sc4cn3)nc2)CC1.
What is the InChIKey of 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UGRBZFGFAYJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6OS/c1-30(2)24(32)23-22(17-6-4-5-7-17)19-12-21(26-15-20(19)33-23)29-25-27-13-18(14-28-25)16-8-10-31(3)11-9-16/h12-17H,4-11H2,1-3H3,(H,26,27,28,29).
What are the key properties of 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?
3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 464.64 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N,N-dimethyl-5-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130203700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).