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

C24H19FN8O2 — CID 90446028

IUPAC5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C24H19FN8O2/c25-16-4-2-1-3-15(16)13-33-21(17-8-10-35-32-17)12-19(31-33)23-26-9-7-22(27-23)28-24(34)20-11-18(29-30-20)14-5-6-14/h1-4,7-12,14H,5-6,13H2,(H,29,30)(H,26,27,28,34)
InChIKeyUMUAJUZWPKVSRD-UHFFFAOYSA-N
MW470.47 g/mol
LogP4.04
Rot. Bonds7

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

5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90446028) has the molecular formula C24H19FN8O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID90446028
Molecular FormulaC24H19FN8O2
Molecular Weight470.47 g/mol
Exact Mass470.16
IUPAC Name5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C24H19FN8O2/c25-16-4-2-1-3-15(16)13-33-21(17-8-10-35-32-17)12-19(31-33)23-26-9-7-22(27-23)28-24(34)20-11-18(29-30-20)14-5-6-14/h1-4,7-12,14H,5-6,13H2,(H,29,30)(H,26,27,28,34)
InChIKeyUMUAJUZWPKVSRD-UHFFFAOYSA-N
XLogP4.04
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide (CID 90446028) is 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is UMUAJUZWPKVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O2/c25-16-4-2-1-3-15(16)13-33-21(17-8-10-35-32-17)12-19(31-33)23-26-9-7-22(27-23)28-24(34)20-11-18(29-30-20)14-5-6-14/h1-4,7-12,14H,5-6,13H2,(H,29,30)(H,26,27,28,34).
What are the key properties of 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90446028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).