N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide

C20H22N6O3 — CID 162431109

IUPACN-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2cnnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C20H22N6O3/c1-11-8-14(19(29)26-16(11)18(28)24-20(26)6-2-3-7-20)22-13-9-15(25-21-10-13)23-17(27)12-4-5-12/h8-10,12H,2-7H2,1H3,(H,24,28)(H2,22,23,25,27)
InChIKeyBJBQZFDFUSHQRY-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.01
Rot. Bonds4

About N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide

N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 162431109) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID162431109
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(Nc2cnnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C20H22N6O3/c1-11-8-14(19(29)26-16(11)18(28)24-20(26)6-2-3-7-20)22-13-9-15(25-21-10-13)23-17(27)12-4-5-12/h8-10,12H,2-7H2,1H3,(H,24,28)(H2,22,23,25,27)
InChIKeyBJBQZFDFUSHQRY-UHFFFAOYSA-N
XLogP2.01
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide 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

CID 166460767
CID 166460767
CID 166460764
CID 166460764
CID 166460720
CID 166460720
N-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyrazine-3,1'-cyclohexane]-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 118598620
N-[2-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-4-pyridinyl]cyclopropanecarboxamide
CID 178180701
N-[6-[(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 118598914
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 118598643
6-[(6-amino-2-oxo-1H-pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118604458
N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methoxypyrimidin-4-yl]cyclopropanecarboxamide
CID 118598928
2-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyridine-3-carboxylic acid
CID 175918653
CID 172572700
CID 172572700

Frequently Asked Questions

What is the IUPAC name of N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide (CID 162431109) is N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide is Cc1cc(Nc2cnnc(NC(=O)C3CC3)c2)c(=O)n2c1C(=O)NC21CCCC1.
What is the InChIKey of N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is BJBQZFDFUSHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-11-8-14(19(29)26-16(11)18(28)24-20(26)6-2-3-7-20)22-13-9-15(25-21-10-13)23-17(27)12-4-5-12/h8-10,12H,2-7H2,1H3,(H,24,28)(H2,22,23,25,27).
What are the key properties of N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162431109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).