tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate

C27H34N8O3 — CID 86726553

About tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate

tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate (PubChem CID 86726553) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate
• PubChem CID: 86726553
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(CCc1cn[nH]n1)CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
• InChI: InChI=1S/C27H34N8O3/c1-27(2,3)38-26(37)35(10-8-21-15-29-33-32-21)17-24(36)34-11-9-23-20(16-34)14-28-25(31-23)30-22-12-18-6-4-5-7-19(18)13-22/h4-7,14-15,22H,8-13,16-17H2,1-3H3,(H,28,30,31)(H,29,32,33)
• InChIKey: YZXSXEOZLIJTDE-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 129.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate (CID 86726553) is tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1cn[nH]n1)CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1.

What is the InChIKey of tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate?

The InChIKey is YZXSXEOZLIJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-27(2,3)38-26(37)35(10-8-21-15-29-33-32-21)17-24(36)34-11-9-23-20(16-34)14-28-25(31-23)30-22-12-18-6-4-5-7-19(18)13-22/h4-7,14-15,22H,8-13,16-17H2,1-3H3,(H,28,30,31)(H,29,32,33).

What are the key properties of tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate?

tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate has a molecular weight of 518.62 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 86726553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).