3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C24H26FN9O2 — CID 148653080

IUPAC3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1ccc(Nc2ncnc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C4CC4)c3F)n2)n1
InChIInChI=1S/C24H26FN9O2/c1-24(2,3)22-31-21(36-33-22)20(35)26-11-14-7-8-15(18(25)17(14)13-5-6-13)19-27-12-28-23(30-19)29-16-9-10-34(4)32-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,26,35)(H,27,28,29,30,32)
InChIKeyNMHFKKPKLPDMQK-UHFFFAOYSA-N
MW491.53 g/mol
LogP3.64
Rot. Bonds7

About 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 148653080) has the molecular formula C24H26FN9O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID148653080
Molecular FormulaC24H26FN9O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1ccc(Nc2ncnc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C4CC4)c3F)n2)n1
InChIInChI=1S/C24H26FN9O2/c1-24(2,3)22-31-21(36-33-22)20(35)26-11-14-7-8-15(18(25)17(14)13-5-6-13)19-27-12-28-23(30-19)29-16-9-10-34(4)32-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,26,35)(H,27,28,29,30,32)
InChIKeyNMHFKKPKLPDMQK-UHFFFAOYSA-N
XLogP3.64
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 148653080) is 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cn1ccc(Nc2ncnc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C4CC4)c3F)n2)n1.
What is the InChIKey of 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NMHFKKPKLPDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN9O2/c1-24(2,3)22-31-21(36-33-22)20(35)26-11-14-7-8-15(18(25)17(14)13-5-6-13)19-27-12-28-23(30-19)29-16-9-10-34(4)32-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,26,35)(H,27,28,29,30,32).
What are the key properties of 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[2-cyclopropyl-3-fluoro-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 148653080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).