N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H14N6O3S — CID 119102270

IUPACN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H14N6O3S/c24-15(12-9-11(21-22-12)13-4-2-8-27-13)19-6-7-23-16(25)10-3-1-5-18-14(10)20-17(23)26/h1-5,8-9H,6-7H2,(H,19,24)(H,21,22)(H,18,20,26)
InChIKeyWEIKEQDQTGAWDW-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.97
Rot. Bonds5

About N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119102270) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119102270
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC NameN-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H14N6O3S/c24-15(12-9-11(21-22-12)13-4-2-8-27-13)19-6-7-23-16(25)10-3-1-5-18-14(10)20-17(23)26/h1-5,8-9H,6-7H2,(H,19,24)(H,21,22)(H,18,20,26)
InChIKeyWEIKEQDQTGAWDW-UHFFFAOYSA-N
XLogP0.97
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 119102270) is N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCCn1c(=O)[nH]c2ncccc2c1=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is WEIKEQDQTGAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c24-15(12-9-11(21-22-12)13-4-2-8-27-13)19-6-7-23-16(25)10-3-1-5-18-14(10)20-17(23)26/h1-5,8-9H,6-7H2,(H,19,24)(H,21,22)(H,18,20,26).
What are the key properties of N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119102270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).