2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H23N5OS — CID 39818675

IUPAC2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCc1nc(CN2CCN(c3nc4c(cc3C(N)=O)CCC4)CC2)cs1
InChIInChI=1S/C18H23N5OS/c1-12-20-14(11-25-12)10-22-5-7-23(8-6-22)18-15(17(19)24)9-13-3-2-4-16(13)21-18/h9,11H,2-8,10H2,1H3,(H2,19,24)
InChIKeyWLDGGTFHKOUWCL-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.76
Rot. Bonds4

About 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 39818675) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID39818675
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCc1nc(CN2CCN(c3nc4c(cc3C(N)=O)CCC4)CC2)cs1
InChIInChI=1S/C18H23N5OS/c1-12-20-14(11-25-12)10-22-5-7-23(8-6-22)18-15(17(19)24)9-13-3-2-4-16(13)21-18/h9,11H,2-8,10H2,1H3,(H2,19,24)
InChIKeyWLDGGTFHKOUWCL-UHFFFAOYSA-N
XLogP1.76
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470789
2-[(6S)-4-benzyl-6-hydroxy-1,4-diazepan-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 98863888
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885523
2-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885525
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
2-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 156603375
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 169264402
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 39818675) is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is Cc1nc(CN2CCN(c3nc4c(cc3C(N)=O)CCC4)CC2)cs1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is WLDGGTFHKOUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-20-14(11-25-12)10-22-5-7-23(8-6-22)18-15(17(19)24)9-13-3-2-4-16(13)21-18/h9,11H,2-8,10H2,1H3,(H2,19,24).
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 39818675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).