tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate

C24H24FN7O4 — CID 90445982

IUPACtert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C24H24FN7O4/c1-24(2,3)36-23(34)27-13-21(33)28-20-8-10-26-22(29-20)18-12-19(17-9-11-35-31-17)32(30-18)14-15-6-4-5-7-16(15)25/h4-12H,13-14H2,1-3H3,(H,27,34)(H,26,28,29,33)
InChIKeyVQQJHFQKRAKSBM-UHFFFAOYSA-N
MW493.50 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate (PubChem CID 90445982) has the molecular formula C24H24FN7O4 and a molecular weight of 493.50 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate
PubChem CID90445982
Molecular FormulaC24H24FN7O4
Molecular Weight493.50 g/mol
Exact Mass493.19
IUPAC Nametert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C24H24FN7O4/c1-24(2,3)36-23(34)27-13-21(33)28-20-8-10-26-22(29-20)18-12-19(17-9-11-35-31-17)32(30-18)14-15-6-4-5-7-16(15)25/h4-12H,13-14H2,1-3H3,(H,27,34)(H,26,28,29,33)
InChIKeyVQQJHFQKRAKSBM-UHFFFAOYSA-N
XLogP3.65
TPSA137.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate (CID 90445982) is tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is VQQJHFQKRAKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O4/c1-24(2,3)36-23(34)27-13-21(33)28-20-8-10-26-22(29-20)18-12-19(17-9-11-35-31-17)32(30-18)14-15-6-4-5-7-16(15)25/h4-12H,13-14H2,1-3H3,(H,27,34)(H,26,28,29,33).
What are the key properties of tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 493.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 90445982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).