N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

C18H19N5O3S — CID 136662020

IUPACN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESCOCc1nc(C2CC(NC(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N5O3S/c1-26-8-16-20-13(7-17(24)21-16)11-4-12(5-11)19-18(25)15-6-14(22-23-15)10-2-3-27-9-10/h2-3,6-7,9,11-12H,4-5,8H2,1H3,(H,19,25)(H,22,23)(H,20,21,24)
InChIKeyLHHXWPHTXHCHPF-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.04
Rot. Bonds6

About N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 136662020) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
PubChem CID136662020
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESCOCc1nc(C2CC(NC(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N5O3S/c1-26-8-16-20-13(7-17(24)21-16)11-4-12(5-11)19-18(25)15-6-14(22-23-15)10-2-3-27-9-10/h2-3,6-7,9,11-12H,4-5,8H2,1H3,(H,19,25)(H,22,23)(H,20,21,24)
InChIKeyLHHXWPHTXHCHPF-UHFFFAOYSA-N
XLogP2.04
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (CID 136662020) is N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is COCc1nc(C2CC(NC(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is LHHXWPHTXHCHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-26-8-16-20-13(7-17(24)21-16)11-4-12(5-11)19-18(25)15-6-14(22-23-15)10-2-3-27-9-10/h2-3,6-7,9,11-12H,4-5,8H2,1H3,(H,19,25)(H,22,23)(H,20,21,24).
What are the key properties of N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136662020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).