N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide

C20H18FN7O4S — CID 86267315

IUPACN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C20H18FN7O4S/c1-33(30,31)23-11-19(29)24-18-6-8-22-20(25-18)16-10-17(15-7-9-32-27-15)28(26-16)12-13-4-2-3-5-14(13)21/h2-10,23H,11-12H2,1H3,(H,22,24,25,29)
InChIKeyJTMUAYJKHUZLSA-UHFFFAOYSA-N
MW471.47 g/mol
LogP1.67
Rot. Bonds8

About N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide (PubChem CID 86267315) has the molecular formula C20H18FN7O4S and a molecular weight of 471.47 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide
PubChem CID86267315
Molecular FormulaC20H18FN7O4S
Molecular Weight471.47 g/mol
Exact Mass471.11
IUPAC NameN-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C20H18FN7O4S/c1-33(30,31)23-11-19(29)24-18-6-8-22-20(25-18)16-10-17(15-7-9-32-27-15)28(26-16)12-13-4-2-3-5-14(13)21/h2-10,23H,11-12H2,1H3,(H,22,24,25,29)
InChIKeyJTMUAYJKHUZLSA-UHFFFAOYSA-N
XLogP1.67
TPSA144.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide (CID 86267315) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide?
The InChIKey is JTMUAYJKHUZLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O4S/c1-33(30,31)23-11-19(29)24-18-6-8-22-20(25-18)16-10-17(15-7-9-32-27-15)28(26-16)12-13-4-2-3-5-14(13)21/h2-10,23H,11-12H2,1H3,(H,22,24,25,29).
What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide?
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide has a molecular weight of 471.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 86267315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).