N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

C21H15FN8O2 — CID 90446289

IUPACN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1ccn[nH]1
InChIInChI=1S/C21H15FN8O2/c22-14-4-2-1-3-13(14)12-30-18(15-7-10-32-29-15)11-17(28-30)20-23-8-6-19(25-20)26-21(31)16-5-9-24-27-16/h1-11H,12H2,(H,24,27)(H,23,25,26,31)
InChIKeyILUDUKDCGYLYHC-UHFFFAOYSA-N
MW430.40 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 90446289) has the molecular formula C21H15FN8O2 and a molecular weight of 430.40 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID90446289
Molecular FormulaC21H15FN8O2
Molecular Weight430.40 g/mol
Exact Mass430.13
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1ccn[nH]1
InChIInChI=1S/C21H15FN8O2/c22-14-4-2-1-3-13(14)12-30-18(15-7-10-32-29-15)11-17(28-30)20-23-8-6-19(25-20)26-21(31)16-5-9-24-27-16/h1-11H,12H2,(H,24,27)(H,23,25,26,31)
InChIKeyILUDUKDCGYLYHC-UHFFFAOYSA-N
XLogP3.16
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide 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 N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (CID 90446289) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1ccn[nH]1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ILUDUKDCGYLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8O2/c22-14-4-2-1-3-13(14)12-30-18(15-7-10-32-29-15)11-17(28-30)20-23-8-6-19(25-20)26-21(31)16-5-9-24-27-16/h1-11H,12H2,(H,24,27)(H,23,25,26,31).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 430.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90446289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).