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

C25H25F2N7O2 — CID 90445875

IUPACN-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(=O)NC1CC1
InChIInChI=1S/C25H25F2N7O2/c1-14(2)22(25(35)29-16-7-8-16)30-23-18(27)12-28-24(31-23)20-11-21(19-9-10-36-33-19)34(32-20)13-15-5-3-4-6-17(15)26/h3-6,9-12,14,16,22H,7-8,13H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyDWLZPMRLBQBDJK-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.04
Rot. Bonds9

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

N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 90445875) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID90445875
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC NameN-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(=O)NC1CC1
InChIInChI=1S/C25H25F2N7O2/c1-14(2)22(25(35)29-16-7-8-16)30-23-18(27)12-28-24(31-23)20-11-21(19-9-10-36-33-19)34(32-20)13-15-5-3-4-6-17(15)26/h3-6,9-12,14,16,22H,7-8,13H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyDWLZPMRLBQBDJK-UHFFFAOYSA-N
XLogP4.04
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide (CID 90445875) is N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide is CC(C)C(Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is DWLZPMRLBQBDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-14(2)22(25(35)29-16-7-8-16)30-23-18(27)12-28-24(31-23)20-11-21(19-9-10-36-33-19)34(32-20)13-15-5-3-4-6-17(15)26/h3-6,9-12,14,16,22H,7-8,13H2,1-2H3,(H,29,35)(H,28,30,31).
What are the key properties of N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide?
N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 493.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 90445875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).