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

C32H33N7O2 — CID 161419235

IUPAC10-[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
SMILESCN(C)C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(C#N)cc(c43)C2)CC1
InChIInChI=1S/C32H33N7O2/c1-35(2)23-8-11-36(12-9-23)32(41)38-14-13-37-20-26(25-16-21(17-33)15-22(19-38)31(25)37)30-24(6-7-28(30)40)27-18-34-29-5-3-4-10-39(27)29/h3-5,10,15-16,18,20,23H,6-9,11-14,19H2,1-2H3
InChIKeyCYYORLNYKBRLPV-UHFFFAOYSA-N
MW547.66 g/mol
LogP4.40
Rot. Bonds3

About 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

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 (PubChem CID 161419235) has the molecular formula C32H33N7O2 and a molecular weight of 547.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID161419235
Molecular FormulaC32H33N7O2
Molecular Weight547.66 g/mol
Exact Mass547.27
IUPAC Name10-[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
SMILESCN(C)C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(C#N)cc(c43)C2)CC1
InChIInChI=1S/C32H33N7O2/c1-35(2)23-8-11-36(12-9-23)32(41)38-14-13-37-20-26(25-16-21(17-33)15-22(19-38)31(25)37)30-24(6-7-28(30)40)27-18-34-29-5-3-4-10-39(27)29/h3-5,10,15-16,18,20,23H,6-9,11-14,19H2,1-2H3
InChIKeyCYYORLNYKBRLPV-UHFFFAOYSA-N
XLogP4.40
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

10-(3-fluoro-3-methylpiperidine-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 160524188
10-(4,4-difluoropiperidine-1-carbonyl)-3-(2-imidazo[1,2-a]pyridin-3-yl-3-oxocyclopenten-1-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 159372732
3-(2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 146388237
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
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
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
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
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
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
4-[6-amino-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-5-imidazo[1,2-a]pyridin-3-ylcyclopent-4-ene-1,3-dione;bis(3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile);4-imidazo[1,2-a]pyridin-3-yl-5-[10-(piperidine-1-carbonyl)-6-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]cyclopent-4-ene-1,3-dione;methane
CID 158245720
11,11,12,12-tetradeuterio-3-(2-imidazo[1,2-a]pyridin-3-yl-3,5-dioxocyclopenten-1-yl)-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 161435579
10-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-3-(3-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-4-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile
CID 135275040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C1CCN(C(=O)N2CCn3cc(C4=C(c5cnc6ccccn56)CCC4=O)c4cc(C#N)cc(c43)C2)CC1.
What is the InChIKey of 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?
The InChIKey is CYYORLNYKBRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O2/c1-35(2)23-8-11-36(12-9-23)32(41)38-14-13-37-20-26(25-16-21(17-33)15-22(19-38)31(25)37)30-24(6-7-28(30)40)27-18-34-29-5-3-4-10-39(27)29/h3-5,10,15-16,18,20,23H,6-9,11-14,19H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 547.66 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161419235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).