tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate

C24H29FN4O2 — CID 67412733

IUPACtert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1ccc2c(cnn2CC2CCC2)c1
InChIInChI=1S/C24H29FN4O2/c1-24(2,3)31-23(30)26-13-17-11-19(25)7-9-21(17)28-20-8-10-22-18(12-20)14-27-29(22)15-16-5-4-6-16/h7-12,14,16,28H,4-6,13,15H2,1-3H3,(H,26,30)
InChIKeyCKAHYYKGIPULJC-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.74
Rot. Bonds6

About tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate

tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate (PubChem CID 67412733) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate
PubChem CID67412733
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Nametert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1ccc2c(cnn2CC2CCC2)c1
InChIInChI=1S/C24H29FN4O2/c1-24(2,3)31-23(30)26-13-17-11-19(25)7-9-21(17)28-20-8-10-22-18(12-20)14-27-29(22)15-16-5-4-6-16/h7-12,14,16,28H,4-6,13,15H2,1-3H3,(H,26,30)
InChIKeyCKAHYYKGIPULJC-UHFFFAOYSA-N
XLogP5.74
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate (CID 67412733) is tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(F)ccc1Nc1ccc2c(cnn2CC2CCC2)c1.
What is the InChIKey of tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate?
The InChIKey is CKAHYYKGIPULJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-24(2,3)31-23(30)26-13-17-11-19(25)7-9-21(17)28-20-8-10-22-18(12-20)14-27-29(22)15-16-5-4-6-16/h7-12,14,16,28H,4-6,13,15H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate?
tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate has a molecular weight of 424.52 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[[1-(cyclobutylmethyl)indazol-5-yl]amino]-5-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 67412733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).