tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

C38H48N8O4 — CID 155774334

About tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (PubChem CID 155774334) has the molecular formula C38H48N8O4 and a molecular weight of 680.85 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• PubChem CID: 155774334
• Molecular Formula: C38H48N8O4
• Molecular Weight: 680.85 g/mol
• Exact Mass: 680.38
• IUPAC Name: tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• SMILES: CC(O)c1nc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C
• InChI: InChI=1S/C38H48N8O4/c1-24(47)30-33(44-20-16-38(17-21-44)23-25-11-5-6-12-26(25)32(38)41-36(48)50-37(2,3)4)42-34-31(40-30)35(43-46(34)29-15-7-8-22-49-29)45-19-10-13-27-28(45)14-9-18-39-27/h5-6,9,11-12,14,18,24,29,32,47H,7-8,10,13,15-17,19-23H2,1-4H3,(H,41,48)/t24?,29?,32-/m1/s1
• InChIKey: FVCZAGBDZULUKT-WZVKSPBRSA-N
• XLogP: 6.47
• TPSA: 130.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	680.85
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The IUPAC name of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (CID 155774334) is tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is CC(O)c1nc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The InChIKey is FVCZAGBDZULUKT-WZVKSPBRSA-N. The full InChI is InChI=1S/C38H48N8O4/c1-24(47)30-33(44-20-16-38(17-21-44)23-25-11-5-6-12-26(25)32(38)41-36(48)50-37(2,3)4)42-34-31(40-30)35(43-46(34)29-15-7-8-22-49-29)45-19-10-13-27-28(45)14-9-18-39-27/h5-6,9,11-12,14,18,24,29,32,47H,7-8,10,13,15-17,19-23H2,1-4H3,(H,41,48)/t24?,29?,32-/m1/s1.

What are the key properties of tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate has a molecular weight of 680.85 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 155774334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).