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

C26H23F2N7O3 — CID 86267731

IUPACN-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CC2)CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1=O
InChIInChI=1S/C26H23F2N7O3/c1-26(24(36)30-16-6-7-16)9-10-34(25(26)37)23-18(28)13-29-22(31-23)20-12-21(19-8-11-38-33-19)35(32-20)14-15-4-2-3-5-17(15)27/h2-5,8,11-13,16H,6-7,9-10,14H2,1H3,(H,30,36)
InChIKeyHZHHUJPFIFSFDY-UHFFFAOYSA-N
MW519.51 g/mol
LogP3.34
Rot. Bonds7

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

N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 86267731) has the molecular formula C26H23F2N7O3 and a molecular weight of 519.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID86267731
Molecular FormulaC26H23F2N7O3
Molecular Weight519.51 g/mol
Exact Mass519.18
IUPAC NameN-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CC2)CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1=O
InChIInChI=1S/C26H23F2N7O3/c1-26(24(36)30-16-6-7-16)9-10-34(25(26)37)23-18(28)13-29-22(31-23)20-12-21(19-8-11-38-33-19)35(32-20)14-15-4-2-3-5-17(15)27/h2-5,8,11-13,16H,6-7,9-10,14H2,1H3,(H,30,36)
InChIKeyHZHHUJPFIFSFDY-UHFFFAOYSA-N
XLogP3.34
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide (CID 86267731) is N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide is CC1(C(=O)NC2CC2)CCN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1=O.
What is the InChIKey of N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HZHHUJPFIFSFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O3/c1-26(24(36)30-16-6-7-16)9-10-34(25(26)37)23-18(28)13-29-22(31-23)20-12-21(19-8-11-38-33-19)35(32-20)14-15-4-2-3-5-17(15)27/h2-5,8,11-13,16H,6-7,9-10,14H2,1H3,(H,30,36).
What are the key properties of N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide?
N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 519.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-3-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).