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

C22H19F2N7O2 — CID 90445971

IUPAC1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(CNc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)CC1
InChIInChI=1S/C22H19F2N7O2/c23-14-4-2-1-3-13(14)11-31-18(16-5-8-33-30-16)9-17(29-31)20-26-10-15(24)19(28-20)27-12-22(6-7-22)21(25)32/h1-5,8-10H,6-7,11-12H2,(H2,25,32)(H,26,27,28)
InChIKeyFGXJGAFTSRIWBN-UHFFFAOYSA-N
MW451.44 g/mol
LogP3.00
Rot. Bonds8

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

1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide (PubChem CID 90445971) has the molecular formula C22H19F2N7O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide
PubChem CID90445971
Molecular FormulaC22H19F2N7O2
Molecular Weight451.44 g/mol
Exact Mass451.16
IUPAC Name1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(CNc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)CC1
InChIInChI=1S/C22H19F2N7O2/c23-14-4-2-1-3-13(14)11-31-18(16-5-8-33-30-16)9-17(29-31)20-26-10-15(24)19(28-20)27-12-22(6-7-22)21(25)32/h1-5,8-10H,6-7,11-12H2,(H2,25,32)(H,26,27,28)
InChIKeyFGXJGAFTSRIWBN-UHFFFAOYSA-N
XLogP3.00
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide (CID 90445971) is 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide is NC(=O)C1(CNc2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)CC1.
What is the InChIKey of 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide?
The InChIKey is FGXJGAFTSRIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O2/c23-14-4-2-1-3-13(14)11-31-18(16-5-8-33-30-16)9-17(29-31)20-26-10-15(24)19(28-20)27-12-22(6-7-22)21(25)32/h1-5,8-10H,6-7,11-12H2,(H2,25,32)(H,26,27,28).
What are the key properties of 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide?
1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90445971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).