5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

C25H27ClN6O2 — CID 121305454

IUPAC5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2Cl
InChIInChI=1S/C25H27ClN6O2/c1-30-12-17(11-28-30)24(34)32-13-25(14-32)8-15(9-25)7-16-10-27-29-23(16)19-3-5-20-18(22(19)26)4-6-21(33)31(20)2/h3,5,10-12,15H,4,6-9,13-14H2,1-2H3,(H,27,29)
InChIKeyPFEXLJYVCIXOLE-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one

5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (PubChem CID 121305454) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
PubChem CID121305454
Molecular FormulaC25H27ClN6O2
Molecular Weight478.98 g/mol
Exact Mass478.19
IUPAC Name5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2Cl
InChIInChI=1S/C25H27ClN6O2/c1-30-12-17(11-28-30)24(34)32-13-25(14-32)8-15(9-25)7-16-10-27-29-23(16)19-3-5-20-18(22(19)26)4-6-21(33)31(20)2/h3,5,10-12,15H,4,6-9,13-14H2,1-2H3,(H,27,29)
InChIKeyPFEXLJYVCIXOLE-UHFFFAOYSA-N
XLogP3.47
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one 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

5-chloro-1-methyl-6-[4-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305405
5-Chloro-6-[4-[(2-ethylsulfonyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-3-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 121305415
6-[4-[(2-Acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-1H-pyrazol-3-yl]-5-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 121305449
5-fluoro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305395
5-fluoro-1-methyl-6-[4-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305596
5-fluoro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305598
5-fluoro-1-methyl-6-[4-[[(3R)-3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305604
5-fluoro-1-methyl-6-[4-[[(2R)-2-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305610
5-fluoro-1-methyl-6-[4-[[3-methyl-4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 146258967
5-ethyl-3-methyl-8-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 58601148
5-chloro-1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305396
1-methyl-6-[4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 121305404

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one (CID 121305454) is 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(-c1[nH]ncc1CC1CC3(C1)CN(C(=O)c1cnn(C)c1)C3)c2Cl.
What is the InChIKey of 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is PFEXLJYVCIXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-30-12-17(11-28-30)24(34)32-13-25(14-32)8-15(9-25)7-16-10-27-29-23(16)19-3-5-20-18(22(19)26)4-6-21(33)31(20)2/h3,5,10-12,15H,4,6-9,13-14H2,1-2H3,(H,27,29).
What are the key properties of 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one?
5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 478.98 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-6-[4-[[2-(1-methylpyrazole-4-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 121305454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).