benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

C34H43N7O4 — CID 167463707

IUPACbenzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)cc21
InChIInChI=1S/C34H43N7O4/c1-38-29-19-27(7-8-28(29)31(37-38)41-16-11-30(42)36-32(41)43)40-14-9-24(10-15-40)22-39-17-12-34(13-18-39)20-26(21-34)35-33(44)45-23-25-5-3-2-4-6-25/h2-8,19,24,26H,9-18,20-23H2,1H3,(H,35,44)(H,36,42,43)
InChIKeyBIJMPTDXKUCYLP-UHFFFAOYSA-N
MW613.76 g/mol
LogP4.41
Rot. Bonds7

About benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate

benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (PubChem CID 167463707) has the molecular formula C34H43N7O4 and a molecular weight of 613.76 g/mol. Its IUPAC name is benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
PubChem CID167463707
Molecular FormulaC34H43N7O4
Molecular Weight613.76 g/mol
Exact Mass613.34
IUPAC Namebenzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)cc21
InChIInChI=1S/C34H43N7O4/c1-38-29-19-27(7-8-28(29)31(37-38)41-16-11-30(42)36-32(41)43)40-14-9-24(10-15-40)22-39-17-12-34(13-18-39)20-26(21-34)35-33(44)45-23-25-5-3-2-4-6-25/h2-8,19,24,26H,9-18,20-23H2,1H3,(H,35,44)(H,36,42,43)
InChIKeyBIJMPTDXKUCYLP-UHFFFAOYSA-N
XLogP4.41
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.76
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The IUPAC name of benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate (CID 167463707) is benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The canonical SMILES for benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCC(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)cc21.
What is the InChIKey of benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
The InChIKey is BIJMPTDXKUCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O4/c1-38-29-19-27(7-8-28(29)31(37-38)41-16-11-30(42)36-32(41)43)40-14-9-24(10-15-40)22-39-17-12-34(13-18-39)20-26(21-34)35-33(44)45-23-25-5-3-2-4-6-25/h2-8,19,24,26H,9-18,20-23H2,1H3,(H,35,44)(H,36,42,43).
What are the key properties of benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate?
benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate has a molecular weight of 613.76 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[7-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate is sourced from PubChem (CID 167463707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).