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

C24H21F2N7O3 — CID 90445845

IUPACN-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(NC1CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1
InChIInChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)21-27-10-17(26)22(29-21)32-12-15(13-32)28-23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,28,34)
InChIKeyJWKQIIJCDBZYQC-UHFFFAOYSA-N
MW493.47 g/mol
LogP2.15
Rot. Bonds7

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

N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 90445845) has the molecular formula C24H21F2N7O3 and a molecular weight of 493.47 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID90445845
Molecular FormulaC24H21F2N7O3
Molecular Weight493.47 g/mol
Exact Mass493.17
IUPAC NameN-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(NC1CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1
InChIInChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)21-27-10-17(26)22(29-21)32-12-15(13-32)28-23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,28,34)
InChIKeyJWKQIIJCDBZYQC-UHFFFAOYSA-N
XLogP2.15
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide (CID 90445845) is N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide is O=C(NC1CN(c2nc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)ncc2F)C1)C1(O)CC1.
What is the InChIKey of N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is JWKQIIJCDBZYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O3/c25-16-4-2-1-3-14(16)11-33-20(18-5-8-36-31-18)9-19(30-33)21-27-10-17(26)22(29-21)32-12-15(13-32)28-23(34)24(35)6-7-24/h1-5,8-10,15,35H,6-7,11-13H2,(H,28,34).
What are the key properties of N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 493.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 90445845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).