N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C22H29N5OS — CID 46353222

IUPACN-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1
InChIInChI=1S/C22H29N5OS/c1-2-10-25-14-16-26(17-15-25)11-6-9-23-21(28)20-19(27-12-3-4-13-27)18-7-5-8-24-22(18)29-20/h3-5,7-8,12-13H,2,6,9-11,14-17H2,1H3,(H,23,28)
InChIKeyVKKZWMJDXXDROI-UHFFFAOYSA-N
MW411.58 g/mol
LogP3.23
Rot. Bonds8

About N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 46353222) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID46353222
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC NameN-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1
InChIInChI=1S/C22H29N5OS/c1-2-10-25-14-16-26(17-15-25)11-6-9-23-21(28)20-19(27-12-3-4-13-27)18-7-5-8-24-22(18)29-20/h3-5,7-8,12-13H,2,6,9-11,14-17H2,1H3,(H,23,28)
InChIKeyVKKZWMJDXXDROI-UHFFFAOYSA-N
XLogP3.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22577904
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
pyrrolidin-1-yl-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 22577871
5-methyl-4-(4-propylpiperazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344823
N-(4-carbamoylphenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838614
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353271
(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 50800548
5-methyl-N-(3-phenylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344866
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344805
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 51661976
N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 46353222) is N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is CCCN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1.
What is the InChIKey of N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VKKZWMJDXXDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-2-10-25-14-16-26(17-15-25)11-6-9-23-21(28)20-19(27-12-3-4-13-27)18-7-5-8-24-22(18)29-20/h3-5,7-8,12-13H,2,6,9-11,14-17H2,1H3,(H,23,28).
What are the key properties of N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 411.58 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).