tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate

C51H64N14O6 — CID 162225336

IUPACtert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(N)C2)cn2ncnc12.CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(NCc3ccccc3)C2)cn2ncnc12
InChIInChI=1S/C29H35N7O3.C22H29N7O3/c1-29(2,3)39-28(37)36(26-15-24-18-38-12-11-34(24)33-26)25-14-22(17-35-27(25)31-19-32-35)21-9-10-23(13-21)30-16-20-7-5-4-6-8-20;1-22(2,3)32-21(30)29(19-10-17-12-31-7-6-27(17)26-19)18-9-15(14-4-5-16(23)8-14)11-28-20(18)24-13-25-28/h4-8,14-15,17,19,21,23,30H,9-13,16,18H2,1-3H3;9-11,13-14,16H,4-8,12,23H2,1-3H3
InChIKeyZURHUTSWXGFNKU-UHFFFAOYSA-N
MW969.16 g/mol
LogP8.08
Rot. Bonds9

About tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate

tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate (PubChem CID 162225336) has the molecular formula C51H64N14O6 and a molecular weight of 969.16 g/mol. Its IUPAC name is tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
PubChem CID162225336
Molecular FormulaC51H64N14O6
Molecular Weight969.16 g/mol
Exact Mass968.51
IUPAC Nametert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(N)C2)cn2ncnc12.CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(NCc3ccccc3)C2)cn2ncnc12
InChIInChI=1S/C29H35N7O3.C22H29N7O3/c1-29(2,3)39-28(37)36(26-15-24-18-38-12-11-34(24)33-26)25-14-22(17-35-27(25)31-19-32-35)21-9-10-23(13-21)30-16-20-7-5-4-6-8-20;1-22(2,3)32-21(30)29(19-10-17-12-31-7-6-27(17)26-19)18-9-15(14-4-5-16(23)8-14)11-28-20(18)24-13-25-28/h4-8,14-15,17,19,21,23,30H,9-13,16,18H2,1-3H3;9-11,13-14,16H,4-8,12,23H2,1-3H3
InChIKeyZURHUTSWXGFNKU-UHFFFAOYSA-N
XLogP8.08
TPSA211.61 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;N-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 158217214
tert-butyl (3R)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466874
N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 118456725
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
tert-butyl 7-(benzylamino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 18507079
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
tert-butyl N-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)-N-[4-[(oxan-4-ylamino)methyl]phenyl]carbamate
CID 59686670
tert-butyl N-benzyl-N-[3-cyclopropyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]imidazo[1,2-b]pyridazin-8-yl]carbamate
CID 162765217
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate (CID 162225336) is tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate is CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(N)C2)cn2ncnc12.CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(C2CCC(NCc3ccccc3)C2)cn2ncnc12.
What is the InChIKey of tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
The InChIKey is ZURHUTSWXGFNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3.C22H29N7O3/c1-29(2,3)39-28(37)36(26-15-24-18-38-12-11-34(24)33-26)25-14-22(17-35-27(25)31-19-32-35)21-9-10-23(13-21)30-16-20-7-5-4-6-8-20;1-22(2,3)32-21(30)29(19-10-17-12-31-7-6-27(17)26-19)18-9-15(14-4-5-16(23)8-14)11-28-20(18)24-13-25-28/h4-8,14-15,17,19,21,23,30H,9-13,16,18H2,1-3H3;9-11,13-14,16H,4-8,12,23H2,1-3H3.
What are the key properties of tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate?
tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate has a molecular weight of 969.16 g/mol, XLogP of 8.08, 9 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3-aminocyclopentyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate;tert-butyl N-[6-[3-(benzylamino)cyclopentyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)carbamate is sourced from PubChem (CID 162225336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).