N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C34H40N8O5 — CID 176974216

IUPACN-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C1CC2(CCN(C(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1
InChIInChI=1S/C34H40N8O5/c43-29-18-34(32(46)39-29)11-15-41(21-34)33(47)37-26-9-13-40(14-10-26)16-12-35-30(44)23-4-1-3-22(17-23)27-20-42-19-24(7-8-28(42)38-27)31(45)36-25-5-2-6-25/h1,3-4,7-8,17,19-20,25-26H,2,5-6,9-16,18,21H2,(H,35,44)(H,36,45)(H,37,47)(H,39,43,46)
InChIKeyTWBLJBGWWGUTKZ-UHFFFAOYSA-N
MW640.75 g/mol
LogP1.93
Rot. Bonds8

About N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 176974216) has the molecular formula C34H40N8O5 and a molecular weight of 640.75 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID176974216
Molecular FormulaC34H40N8O5
Molecular Weight640.75 g/mol
Exact Mass640.31
IUPAC NameN-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C1CC2(CCN(C(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1
InChIInChI=1S/C34H40N8O5/c43-29-18-34(32(46)39-29)11-15-41(21-34)33(47)37-26-9-13-40(14-10-26)16-12-35-30(44)23-4-1-3-22(17-23)27-20-42-19-24(7-8-28(42)38-27)31(45)36-25-5-2-6-25/h1,3-4,7-8,17,19-20,25-26H,2,5-6,9-16,18,21H2,(H,35,44)(H,36,45)(H,37,47)(H,39,43,46)
InChIKeyTWBLJBGWWGUTKZ-UHFFFAOYSA-N
XLogP1.93
TPSA157.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.75
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 176974216) is N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C1CC2(CCN(C(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1.
What is the InChIKey of N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is TWBLJBGWWGUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O5/c43-29-18-34(32(46)39-29)11-15-41(21-34)33(47)37-26-9-13-40(14-10-26)16-12-35-30(44)23-4-1-3-22(17-23)27-20-42-19-24(7-8-28(42)38-27)31(45)36-25-5-2-6-25/h1,3-4,7-8,17,19-20,25-26H,2,5-6,9-16,18,21H2,(H,35,44)(H,36,45)(H,37,47)(H,39,43,46).
What are the key properties of N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 640.75 g/mol, XLogP of 1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-[2-[4-[(1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carbonyl)amino]piperidin-1-yl]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 176974216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).