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

C29H30Cl2N12O4 — CID 158217214

IUPACtert-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
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12.Clc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1
InChIInChI=1S/C17H19ClN6O3.C12H11ClN6O/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23;13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h6-8,10H,4-5,9H2,1-3H3;3-5,7H,1-2,6H2,(H,16,17)
InChIKeyGCUOBEJTKICINV-UHFFFAOYSA-N
MW681.55 g/mol
LogP5.04
Rot. Bonds4

About 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

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 (PubChem CID 158217214) has the molecular formula C29H30Cl2N12O4 and a molecular weight of 681.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158217214
Molecular FormulaC29H30Cl2N12O4
Molecular Weight681.55 g/mol
Exact Mass680.19
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12.Clc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1
InChIInChI=1S/C17H19ClN6O3.C12H11ClN6O/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23;13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h6-8,10H,4-5,9H2,1-3H3;3-5,7H,1-2,6H2,(H,16,17)
InChIKeyGCUOBEJTKICINV-UHFFFAOYSA-N
XLogP5.04
TPSA156.05 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500681.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 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 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
CID 118467004
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-bromo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 118466933
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
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-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-N-(oxan-4-ylmethyl)carbamate
CID 86662992
tert-butyl 3-[8-[(6-methoxypyridazin-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466959
1-[(3S)-3-[8-(5,7-dihydro-4H-pyrazolo[1,5-c][1,3]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclohexyl]prop-2-en-1-one
CID 129060788
tert-butyl 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-7-carboxylate
CID 146261301
6-(cyclohexen-1-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 129050202
tert-butyl 3-[8-[(6-methoxypyridazin-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylate
CID 118456695
tert-butyl 4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-3-yl]carbamoyl]benzoate
CID 71074252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N(c1cc2n(n1)CCOC2)c1cc(Cl)cn2ncnc12.Clc1cc(Nc2cc3n(n2)CCOC3)c2ncnn2c1.
What is the InChIKey of 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?
The InChIKey is GCUOBEJTKICINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3.C12H11ClN6O/c1-17(2,3)27-16(25)24(14-7-12-9-26-5-4-22(12)21-14)13-6-11(18)8-23-15(13)19-10-20-23;13-8-3-10(12-14-7-15-19(12)5-8)16-11-4-9-6-20-2-1-18(9)17-11/h6-8,10H,4-5,9H2,1-3H3;3-5,7H,1-2,6H2,(H,16,17).
What are the key properties of 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?
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 has a molecular weight of 681.55 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158217214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).