N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide

C19H23N5OS — CID 126803579

IUPACN,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCN(c3nccc4sccc34)CC2)[nH]1
InChIInChI=1S/C19H23N5OS/c1-22(2)19(25)16-4-3-14(21-16)13-23-8-10-24(11-9-23)18-15-6-12-26-17(15)5-7-20-18/h3-7,12,21H,8-11,13H2,1-2H3
InChIKeyROKOFFCTKUOYPX-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.65
Rot. Bonds4

About N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide

N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 126803579) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID126803579
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCN(c3nccc4sccc34)CC2)[nH]1
InChIInChI=1S/C19H23N5OS/c1-22(2)19(25)16-4-3-14(21-16)13-23-8-10-24(11-9-23)18-15-6-12-26-17(15)5-7-20-18/h3-7,12,21H,8-11,13H2,1-2H3
InChIKeyROKOFFCTKUOYPX-UHFFFAOYSA-N
XLogP2.65
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279
(1-methylpyrazol-4-yl)-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methanone
CID 172902883
N-methyl-N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]cyclobutanecarboxamide
CID 171335899
4-(4-thieno[3,2-c]pyridin-4-yl-1,4-diazepan-1-yl)butan-1-amine
CID 60871032
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
[2-methyl-1-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-yl] carbamate
CID 174671822
4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
CID 126808096
N-pentyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395507
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
tert-butyl N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]carbamate
CID 67125790
1-[(1R,3R)-3-methoxycyclopentyl]-3-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propan-2-one
CID 58567294

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide (CID 126803579) is N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(CN2CCN(c3nccc4sccc34)CC2)[nH]1.
What is the InChIKey of N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ROKOFFCTKUOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-22(2)19(25)16-4-3-14(21-16)13-23-8-10-24(11-9-23)18-15-6-12-26-17(15)5-7-20-18/h3-7,12,21H,8-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide?
N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126803579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).