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

C21H17FN6O3 — CID 90446492

IUPACN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)C1(O)CC1
InChIInChI=1S/C21H17FN6O3/c22-14-4-2-1-3-13(14)12-28-17(15-6-10-31-27-15)11-16(26-28)19-23-9-5-18(24-19)25-20(29)21(30)7-8-21/h1-6,9-11,30H,7-8,12H2,(H,23,24,25,29)
InChIKeyIHJSLLLFLSPYRI-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.65
Rot. Bonds6

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

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 90446492) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID90446492
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)C1(O)CC1
InChIInChI=1S/C21H17FN6O3/c22-14-4-2-1-3-13(14)12-28-17(15-6-10-31-27-15)11-16(26-28)19-23-9-5-18(24-19)25-20(29)21(30)7-8-21/h1-6,9-11,30H,7-8,12H2,(H,23,24,25,29)
InChIKeyIHJSLLLFLSPYRI-UHFFFAOYSA-N
XLogP2.65
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.65
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]-1-hydroxycyclopropane-1-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]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide (CID 90446492) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-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]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide is O=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)C1(O)CC1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is IHJSLLLFLSPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c22-14-4-2-1-3-13(14)12-28-17(15-6-10-31-27-15)11-16(26-28)19-23-9-5-18(24-19)25-20(29)21(30)7-8-21/h1-6,9-11,30H,7-8,12H2,(H,23,24,25,29).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.65, 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]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 90446492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).