N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide

C24H19ClFN7O2 — CID 137061867

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide
SMILESNC1=NC(c2cc(-c3ccon3)n(Cc3ccccc3F)n2)NC=C1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H19ClFN7O2/c25-16-7-3-2-6-15(16)24(34)29-20-12-28-23(30-22(20)27)19-11-21(18-9-10-35-32-18)33(31-19)13-14-5-1-4-8-17(14)26/h1-12,23,28H,13H2,(H2,27,30)(H,29,34)
InChIKeyQOOHMLKIDZFZET-UHFFFAOYSA-N
MW491.91 g/mol
LogP3.61
Rot. Bonds6

About N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide (PubChem CID 137061867) has the molecular formula C24H19ClFN7O2 and a molecular weight of 491.91 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide
PubChem CID137061867
Molecular FormulaC24H19ClFN7O2
Molecular Weight491.91 g/mol
Exact Mass491.13
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide
SMILESNC1=NC(c2cc(-c3ccon3)n(Cc3ccccc3F)n2)NC=C1NC(=O)c1ccccc1Cl
InChIInChI=1S/C24H19ClFN7O2/c25-16-7-3-2-6-15(16)24(34)29-20-12-28-23(30-22(20)27)19-11-21(18-9-10-35-32-18)33(31-19)13-14-5-1-4-8-17(14)26/h1-12,23,28H,13H2,(H2,27,30)(H,29,34)
InChIKeyQOOHMLKIDZFZET-UHFFFAOYSA-N
XLogP3.61
TPSA123.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide (CID 137061867) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide is NC1=NC(c2cc(-c3ccon3)n(Cc3ccccc3F)n2)NC=C1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide?
The InChIKey is QOOHMLKIDZFZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN7O2/c25-16-7-3-2-6-15(16)24(34)29-20-12-28-23(30-22(20)27)19-11-21(18-9-10-35-32-18)33(31-19)13-14-5-1-4-8-17(14)26/h1-12,23,28H,13H2,(H2,27,30)(H,29,34).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide has a molecular weight of 491.91 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1,2-dihydropyrimidin-5-yl]-2-chlorobenzamide is sourced from PubChem (CID 137061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).