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

C23H17FN8O2 — CID 68642260

IUPACN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccncc1
InChIInChI=1S/C23H17FN8O2/c24-16-4-2-1-3-15(16)13-32-20(17-7-10-34-31-17)11-18(30-32)22-27-12-19(21(25)29-22)28-23(33)14-5-8-26-9-6-14/h1-12H,13H2,(H,28,33)(H2,25,27,29)
InChIKeyLVUDSENCFGDMSZ-UHFFFAOYSA-N
MW456.44 g/mol
LogP3.41
Rot. Bonds6

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

N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide (PubChem CID 68642260) has the molecular formula C23H17FN8O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide
PubChem CID68642260
Molecular FormulaC23H17FN8O2
Molecular Weight456.44 g/mol
Exact Mass456.15
IUPAC NameN-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccncc1
InChIInChI=1S/C23H17FN8O2/c24-16-4-2-1-3-15(16)13-32-20(17-7-10-34-31-17)11-18(30-32)22-27-12-19(21(25)29-22)28-23(33)14-5-8-26-9-6-14/h1-12H,13H2,(H,28,33)(H2,25,27,29)
InChIKeyLVUDSENCFGDMSZ-UHFFFAOYSA-N
XLogP3.41
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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]pyrimidin-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide (CID 68642260) is N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1NC(=O)c1ccncc1.
What is the InChIKey of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide?
The InChIKey is LVUDSENCFGDMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8O2/c24-16-4-2-1-3-15(16)13-32-20(17-7-10-34-31-17)11-18(30-32)22-27-12-19(21(25)29-22)28-23(33)14-5-8-26-9-6-14/h1-12H,13H2,(H,28,33)(H2,25,27,29).
What are the key properties of N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide?
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide has a molecular weight of 456.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]pyrimidin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 68642260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).