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

C72H85ClN20O3 — CID 158232726

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

tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 158232726) has the molecular formula C72H85ClN20O3 and a molecular weight of 1314.06 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• PubChem CID: 158232726
• Molecular Formula: C72H85ClN20O3
• Molecular Weight: 1314.06 g/mol
• Exact Mass: 1312.68
• IUPAC Name: tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• SMILES: Cc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.Cc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C41H50N10O3.C31H34N10.ClH/c1-26-36(49-20-17-41(18-21-49)23-27-11-6-7-12-29(27)35(41)45-39(52)54-40(2,3)4)46-37-34(43-26)38(47-51(37)33-14-8-9-22-53-33)50-19-10-13-31-32(50)16-15-30(44-31)28-24-42-48(5)25-28;1-19-29(40-14-11-31(12-15-40)16-20-6-3-4-7-22(20)27(31)32)36-28-26(34-19)30(38-37-28)41-13-5-8-24-25(41)10-9-23(35-24)21-17-33-39(2)18-21;/h6-7,11-12,15-16,24-25,33,35H,8-10,13-14,17-23H2,1-5H3,(H,45,52);3-4,6-7,9-10,17-18,27H,5,8,11-16,32H2,1-2H3,(H,36,37,38);1H/t33?,35-;27-;/m11./s1
• InChIKey: FIIRCRCMHPESFA-QUZPURNNSA-N
• XLogP: 11.93
• TPSA: 246.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1314.06
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 158232726) is tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

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

The canonical SMILES for tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is Cc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)n[nH]c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.Cc1nc2c(N3CCCc4nc(-c5cnn(C)c5)ccc43)nn(C3CCCCO3)c2nc1N1CCC2(CC1)Cc1ccccc1[C@H]2NC(=O)OC(C)(C)C.Cl.

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

The InChIKey is FIIRCRCMHPESFA-QUZPURNNSA-N. The full InChI is InChI=1S/C41H50N10O3.C31H34N10.ClH/c1-26-36(49-20-17-41(18-21-49)23-27-11-6-7-12-29(27)35(41)45-39(52)54-40(2,3)4)46-37-34(43-26)38(47-51(37)33-14-8-9-22-53-33)50-19-10-13-31-32(50)16-15-30(44-31)28-24-42-48(5)25-28;1-19-29(40-14-11-31(12-15-40)16-20-6-3-4-7-22(20)27(31)32)36-28-26(34-19)30(38-37-28)41-13-5-8-24-25(41)10-9-23(35-24)21-17-33-39(2)18-21;/h6-7,11-12,15-16,24-25,33,35H,8-10,13-14,17-23H2,1-5H3,(H,45,52);3-4,6-7,9-10,17-18,27H,5,8,11-16,32H2,1-2H3,(H,36,37,38);1H/t33?,35-;27-;/m11./s1.

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

tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 1314.06 g/mol, XLogP of 11.93, 8 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate;(1S)-1'-[5-methyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 158232726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).