tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]

C61H75ClN10O4 — CID 165040366

About tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]

tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] (PubChem CID 165040366) has the molecular formula C61H75ClN10O4 and a molecular weight of 1047.79 g/mol. Its IUPAC name is tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane].

Molecular Properties

• Compound Name: tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]
• PubChem CID: 165040366
• Molecular Formula: C61H75ClN10O4
• Molecular Weight: 1047.79 g/mol
• Exact Mass: 1046.57
• IUPAC Name: tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]
• SMILES: Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(Cl)c4C4(CC4)C3)c12.Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCN(C(=O)OC(C)(C)C)CC5)c4C4(CC4)C3)c12
• InChI: InChI=1S/C35H46N6O3.C26H29ClN4O/c1-24-9-6-10-25-11-7-13-28(29(24)25)41-21-27-30(35(23-41)14-15-35)31(37-32(36-27)43-22-26-12-8-16-38(26)5)39-17-19-40(20-18-39)33(42)44-34(2,3)4;1-17-6-3-7-18-8-4-10-21(22(17)18)31-14-20-23(26(16-31)11-12-26)24(27)29-25(28-20)32-15-19-9-5-13-30(19)2/h6-7,9-11,13,26H,8,12,14-23H2,1-5H3;3-4,6-8,10,19H,5,9,11-16H2,1-2H3/t26-;19-/m00/s1
• InChIKey: OAHSWKUAJICVCA-XKOTXLQXSA-N
• XLogP: 10.64
• TPSA: 115.76 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.79
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The IUPAC name of tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] (CID 165040366) is tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane].

What is the SMILES notation for tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The canonical SMILES for tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] is Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(Cl)c4C4(CC4)C3)c12.Cc1cccc2cccc(N3Cc4nc(OC[C@@H]5CCCN5C)nc(N5CCN(C(=O)OC(C)(C)C)CC5)c4C4(CC4)C3)c12.

What is the InChIKey of tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

The InChIKey is OAHSWKUAJICVCA-XKOTXLQXSA-N. The full InChI is InChI=1S/C35H46N6O3.C26H29ClN4O/c1-24-9-6-10-25-11-7-13-28(29(24)25)41-21-27-30(35(23-41)14-15-35)31(37-32(36-27)43-22-26-12-8-16-38(26)5)39-17-19-40(20-18-39)33(42)44-34(2,3)4;1-17-6-3-7-18-8-4-10-21(22(17)18)31-14-20-23(26(16-31)11-12-26)24(27)29-25(28-20)32-15-19-9-5-13-30(19)2/h6-7,9-11,13,26H,8,12,14-23H2,1-5H3;3-4,6-8,10,19H,5,9,11-16H2,1-2H3/t26-;19-/m00/s1.

What are the key properties of tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]?

tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] has a molecular weight of 1047.79 g/mol, XLogP of 10.64, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane]-4-yl]piperazine-1-carboxylate;4-chloro-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[6,8-dihydropyrido[3,4-d]pyrimidine-5,1'-cyclopropane] is sourced from PubChem (CID 165040366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).