1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

C27H29N5O4 — CID 118673719

IUPAC1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(O)Cn1cc(C(=O)NC2CC3(C2)CC(c2n[nH]c(=O)c4ccccc24)C3)n2ccc(=O)cc12
InChIInChI=1S/C27H29N5O4/c1-26(2,36)15-31-14-21(32-8-7-18(33)9-22(31)32)25(35)28-17-12-27(13-17)10-16(11-27)23-19-5-3-4-6-20(19)24(34)30-29-23/h3-9,14,16-17,36H,10-13,15H2,1-2H3,(H,28,35)(H,30,34)
InChIKeyLHXBZPMTJYAEIQ-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide

1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118673719) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118673719
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)(O)Cn1cc(C(=O)NC2CC3(C2)CC(c2n[nH]c(=O)c4ccccc24)C3)n2ccc(=O)cc12
InChIInChI=1S/C27H29N5O4/c1-26(2,36)15-31-14-21(32-8-7-18(33)9-22(31)32)25(35)28-17-12-27(13-17)10-16(11-27)23-19-5-3-4-6-20(19)24(34)30-29-23/h3-9,14,16-17,36H,10-13,15H2,1-2H3,(H,28,35)(H,30,34)
InChIKeyLHXBZPMTJYAEIQ-UHFFFAOYSA-N
XLogP2.56
TPSA121.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118673634
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 118673656
6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673553
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
CID 118673755
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
CID 118673697
4-ethoxy-5-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
CID 118673747
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118673621
7-methylsulfonyl-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134286679
3-(1H-imidazol-5-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]benzamide
CID 118673690
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
CID 118661389
1-(2-aminospiro[3.3]heptan-6-yl)-3H-pyrrolo[1,2-d][1,2,4]triazin-4-one;1-(2-hydroxy-2-methylpropyl)indazole-3-carboxylic acid;1-(2-hydroxy-2-methylpropyl)-N-[6-(4-oxo-3H-pyrrolo[1,2-d][1,2,4]triazin-1-yl)spiro[3.3]heptan-2-yl]indazole-3-carboxamide
CID 159632598
N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134286565

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118673719) is 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)(O)Cn1cc(C(=O)NC2CC3(C2)CC(c2n[nH]c(=O)c4ccccc24)C3)n2ccc(=O)cc12.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LHXBZPMTJYAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-26(2,36)15-31-14-21(32-8-7-18(33)9-22(31)32)25(35)28-17-12-27(13-17)10-16(11-27)23-19-5-3-4-6-20(19)24(34)30-29-23/h3-9,14,16-17,36H,10-13,15H2,1-2H3,(H,28,35)(H,30,34).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-7-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118673719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).