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]piperidine-1-carboxylate;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

C39H50N14O4 — CID 159519258

About 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]piperidine-1-carboxylate;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

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]piperidine-1-carboxylate;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 (PubChem CID 159519258) has the molecular formula C39H50N14O4 and a molecular weight of 778.92 g/mol. Its IUPAC name is 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]piperidine-1-carboxylate;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.

Molecular Properties

• Compound Name: 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]piperidine-1-carboxylate;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
• PubChem CID: 159519258
• Molecular Formula: C39H50N14O4
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.41
• IUPAC Name: 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]piperidine-1-carboxylate;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
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H](c2cc(Nc3cc4n(n3)CCOC4)c3ncnn3c2)C1.c1nc2c(Nc3cc4n(n3)CCOC4)cc([C@H]3CCCNC3)cn2n1
• InChI: InChI=1S/C22H29N7O3.C17H21N7O/c1-22(2,3)32-21(30)27-6-4-5-15(11-27)16-9-18(20-23-14-24-29(20)12-16)25-19-10-17-13-31-8-7-28(17)26-19;1-2-12(8-18-3-1)13-6-15(17-19-11-20-24(17)9-13)21-16-7-14-10-25-5-4-23(14)22-16/h9-10,12,14-15H,4-8,11,13H2,1-3H3,(H,25,26);6-7,9,11-12,18H,1-5,8,10H2,(H,21,22)/t15-;12-/m00/s1
• InChIKey: MBPGDBPGGIEALS-AYKMAULUSA-N
• XLogP: 4.98
• TPSA: 180.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 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]piperidine-1-carboxylate;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?

The IUPAC name of 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]piperidine-1-carboxylate;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 159519258) is 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]piperidine-1-carboxylate;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.

What is the SMILES notation for 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]piperidine-1-carboxylate;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?

The canonical SMILES for 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]piperidine-1-carboxylate;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 is CC(C)(C)OC(=O)N1CCC[C@H](c2cc(Nc3cc4n(n3)CCOC4)c3ncnn3c2)C1.c1nc2c(Nc3cc4n(n3)CCOC4)cc([C@H]3CCCNC3)cn2n1.

What is the InChIKey of 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]piperidine-1-carboxylate;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?

The InChIKey is MBPGDBPGGIEALS-AYKMAULUSA-N. The full InChI is InChI=1S/C22H29N7O3.C17H21N7O/c1-22(2,3)32-21(30)27-6-4-5-15(11-27)16-9-18(20-23-14-24-29(20)12-16)25-19-10-17-13-31-8-7-28(17)26-19;1-2-12(8-18-3-1)13-6-15(17-19-11-20-24(17)9-13)21-16-7-14-10-25-5-4-23(14)22-16/h9-10,12,14-15H,4-8,11,13H2,1-3H3,(H,25,26);6-7,9,11-12,18H,1-5,8,10H2,(H,21,22)/t15-;12-/m00/s1.

What are the key properties of 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]piperidine-1-carboxylate;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?

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]piperidine-1-carboxylate;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 has a molecular weight of 778.92 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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]piperidine-1-carboxylate;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 is sourced from PubChem (CID 159519258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).