N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H14N8O2S — CID 172847755

IUPACN-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESNc1nc2c(ncn2CCNC(=O)c2cc(-c3cccs3)[nH]n2)c(=O)[nH]1
InChIInChI=1S/C15H14N8O2S/c16-15-19-12-11(14(25)20-15)18-7-23(12)4-3-17-13(24)9-6-8(21-22-9)10-2-1-5-26-10/h1-2,5-7H,3-4H2,(H,17,24)(H,21,22)(H3,16,19,20,25)
InChIKeyXQSGRUSLRIDEBC-UHFFFAOYSA-N
MW370.40 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 172847755) has the molecular formula C15H14N8O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID172847755
Molecular FormulaC15H14N8O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESNc1nc2c(ncn2CCNC(=O)c2cc(-c3cccs3)[nH]n2)c(=O)[nH]1
InChIInChI=1S/C15H14N8O2S/c16-15-19-12-11(14(25)20-15)18-7-23(12)4-3-17-13(24)9-6-8(21-22-9)10-2-1-5-26-10/h1-2,5-7H,3-4H2,(H,17,24)(H,21,22)(H3,16,19,20,25)
InChIKeyXQSGRUSLRIDEBC-UHFFFAOYSA-N
XLogP0.58
TPSA147.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119102270
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
4-methyl-2-oxo-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990240
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 111429721
2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
CID 173024562
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90570791

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 172847755) is N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Nc1nc2c(ncn2CCNC(=O)c2cc(-c3cccs3)[nH]n2)c(=O)[nH]1.
What is the InChIKey of N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XQSGRUSLRIDEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O2S/c16-15-19-12-11(14(25)20-15)18-7-23(12)4-3-17-13(24)9-6-8(21-22-9)10-2-1-5-26-10/h1-2,5-7H,3-4H2,(H,17,24)(H,21,22)(H3,16,19,20,25).
What are the key properties of N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-6-oxo-1H-purin-9-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 172847755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).