5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one

C29H31FN8O2 — CID 155176721

IUPAC5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one
SMILESCN(C)C1CCN(C(=O)N2CCn3cc(-c4[nH][nH]c(=O)c4-c4cnc5ccccn45)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C29H31FN8O2/c1-34(2)20-6-9-35(10-7-20)29(40)37-12-11-36-17-22(21-14-19(30)13-18(16-37)27(21)36)26-25(28(39)33-32-26)23-15-31-24-5-3-4-8-38(23)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H2,32,33,39)
InChIKeyKGZYXXXEBZMPOW-UHFFFAOYSA-N
MW542.62 g/mol
LogP3.74
Rot. Bonds3

About 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one

5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one (PubChem CID 155176721) has the molecular formula C29H31FN8O2 and a molecular weight of 542.62 g/mol. Its IUPAC name is 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one
PubChem CID155176721
Molecular FormulaC29H31FN8O2
Molecular Weight542.62 g/mol
Exact Mass542.26
IUPAC Name5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one
SMILESCN(C)C1CCN(C(=O)N2CCn3cc(-c4[nH][nH]c(=O)c4-c4cnc5ccccn45)c4cc(F)cc(c43)C2)CC1
InChIInChI=1S/C29H31FN8O2/c1-34(2)20-6-9-35(10-7-20)29(40)37-12-11-36-17-22(21-14-19(30)13-18(16-37)27(21)36)26-25(28(39)33-32-26)23-15-31-24-5-3-4-8-38(23)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H2,32,33,39)
InChIKeyKGZYXXXEBZMPOW-UHFFFAOYSA-N
XLogP3.74
TPSA97.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.62
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-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

10-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 155176762
5-[6-ethynyl-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one
CID 155176820
3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 155176822
6-cyano-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrazol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
CID 155176929
4-[10-(4-ethylpiperidine-1-carbonyl)-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
CID 157228981
3-[6-fluoro-10-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 135275088
10-[4-(dimethylamino)piperidine-1-carbonyl]-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 161419235
3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 158740104
5-[6-fluoro-10-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carbonyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-3-one
CID 160841454
4-[6-fluoro-10-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 146566034
2-[6-fluoro-10-(2,2,6,6-tetrafluoromorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-ylcyclopent-2-en-1-one
CID 161105979
N-(cyclohexylmethyl)-6-fluoro-3-(2-imidazo[1,2-a]pyridin-3-yl-5-oxocyclopenten-1-yl)-N-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide
CID 159556474

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one (CID 155176721) is 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one is CN(C)C1CCN(C(=O)N2CCn3cc(-c4[nH][nH]c(=O)c4-c4cnc5ccccn45)c4cc(F)cc(c43)C2)CC1.
What is the InChIKey of 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one?
The InChIKey is KGZYXXXEBZMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8O2/c1-34(2)20-6-9-35(10-7-20)29(40)37-12-11-36-17-22(21-14-19(30)13-18(16-37)27(21)36)26-25(28(39)33-32-26)23-15-31-24-5-3-4-8-38(23)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H2,32,33,39).
What are the key properties of 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one?
5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one has a molecular weight of 542.62 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-(dimethylamino)piperidine-1-carbonyl]-6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 155176721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).