tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate

C23H27N7O2 — CID 163210225

IUPACtert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3c[nH]c4ccccc34)c3nccn3n2)C1
InChIInChI=1S/C23H27N7O2/c1-23(2,3)32-22(31)29-11-6-7-15(14-29)26-21-27-19(20-24-10-12-30(20)28-21)17-13-25-18-9-5-4-8-16(17)18/h4-5,8-10,12-13,15,25H,6-7,11,14H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeySIKGGRXPDZSACD-OAHLLOKOSA-N
MW433.52 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 163210225) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID163210225
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Nametert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3c[nH]c4ccccc34)c3nccn3n2)C1
InChIInChI=1S/C23H27N7O2/c1-23(2,3)32-22(31)29-11-6-7-15(14-29)26-21-27-19(20-24-10-12-30(20)28-21)17-13-25-18-9-5-4-8-16(17)18/h4-5,8-10,12-13,15,25H,6-7,11,14H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeySIKGGRXPDZSACD-OAHLLOKOSA-N
XLogP4.08
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 123890157
tert-butyl 4-[[(1S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 129292911
tert-butyl (3S)-3-[[4-(6-carbonochloridoyl-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 145444274
tert-butyl (3S)-3-[[4-[6-(1-methylpyrazol-3-yl)-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 142751807
tert-butyl (2S)-2-[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]pyrrolidine-1-carboxylate
CID 129279056
tert-butyl (3S)-3-[[4-[6-[1-(difluoromethyl)pyrazol-3-yl]-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 142751833
tert-butyl (3S)-3-[[5-methyl-4-[6-(1-methyltetrazol-5-yl)-1H-indol-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;N-cyclohexyl-5-methyl-4-[6-(1-methyltetrazol-5-yl)-1H-indol-3-yl]pyrimidin-2-amine
CID 163526416
(5-amino-2-pyridinyl)-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 134543406
tert-butyl 4-[[4-[3-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]propyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 169103367
tert-butyl (3S)-3-[[4-[6-[(3R)-3-cyanopyrrolidine-1-carbonyl]-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 142751793
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
tert-butyl (3S)-3-[[4-[6-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 142751842

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate (CID 163210225) is tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(-c3c[nH]c4ccccc34)c3nccn3n2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is SIKGGRXPDZSACD-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-23(2,3)32-22(31)29-11-6-7-15(14-29)26-21-27-19(20-24-10-12-30(20)28-21)17-13-25-18-9-5-4-8-16(17)18/h4-5,8-10,12-13,15,25H,6-7,11,14H2,1-3H3,(H,26,28)/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 433.52 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 163210225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).