N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

C19H25N5O2S — CID 11956570

IUPACN-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESCNC(=O)C1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21
InChIInChI=1S/C19H25N5O2S/c1-20-18(25)15-3-2-5-24-16(11-21-17(15)24)19(26)23-8-6-22(7-9-23)12-14-4-10-27-13-14/h4,10-11,13,15H,2-3,5-9,12H2,1H3,(H,20,25)
InChIKeyZKBDWUCLYGNZEX-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide

N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 11956570) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID11956570
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESCNC(=O)C1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21
InChIInChI=1S/C19H25N5O2S/c1-20-18(25)15-3-2-5-24-16(11-21-17(15)24)19(26)23-8-6-22(7-9-23)12-14-4-10-27-13-14/h4,10-11,13,15H,2-3,5-9,12H2,1H3,(H,20,25)
InChIKeyZKBDWUCLYGNZEX-UHFFFAOYSA-N
XLogP1.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide (CID 11956570) is N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is CNC(=O)C1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21.
What is the InChIKey of N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is ZKBDWUCLYGNZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-20-18(25)15-3-2-5-24-16(11-21-17(15)24)19(26)23-8-6-22(7-9-23)12-14-4-10-27-13-14/h4,10-11,13,15H,2-3,5-9,12H2,1H3,(H,20,25).
What are the key properties of N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide?
N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 11956570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).