[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate

C19H15N5O3 — CID 89106278

IUPAC[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C19H15N5O3/c1-20-19(26)27-13-7-5-12(6-8-13)16-10-17(25)24-18(23-16)14(11-22-24)15-4-2-3-9-21-15/h2-11,22H,1H3,(H,20,26)
InChIKeyWFTMSFNXHAFDHQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.47
Rot. Bonds3

About [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate

[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate (PubChem CID 89106278) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate
PubChem CID89106278
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1
InChIInChI=1S/C19H15N5O3/c1-20-19(26)27-13-7-5-12(6-8-13)16-10-17(25)24-18(23-16)14(11-22-24)15-4-2-3-9-21-15/h2-11,22H,1H3,(H,20,26)
InChIKeyWFTMSFNXHAFDHQ-UHFFFAOYSA-N
XLogP2.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate?
The IUPAC name of [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate (CID 89106278) is [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(-c2cc(=O)n3[nH]cc(-c4ccccn4)c3n2)cc1.
What is the InChIKey of [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate?
The InChIKey is WFTMSFNXHAFDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-20-19(26)27-13-7-5-12(6-8-13)16-10-17(25)24-18(23-16)14(11-22-24)15-4-2-3-9-21-15/h2-11,22H,1H3,(H,20,26).
What are the key properties of [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate?
[4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate has a molecular weight of 361.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] N-methylcarbamate is sourced from PubChem (CID 89106278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).