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

C29H27N7O3 — CID 146388237

IUPAC3-(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
SMILESN#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(O)NC1=O)cn3CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C29H27N7O3/c30-14-18-12-19-16-35(29(39)33-7-3-1-4-8-33)11-10-34-17-21(20(13-18)26(19)34)24-25(28(38)32-27(24)37)22-15-31-23-6-2-5-9-36(22)23/h2,5-6,9,12-13,15,17,28,38H,1,3-4,7-8,10-11,16H2,(H,32,37)
InChIKeyMUGISWXJZLBEHP-UHFFFAOYSA-N
MW521.58 g/mol
LogP2.94
Rot. Bonds2

About 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

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 (PubChem CID 146388237) has the molecular formula C29H27N7O3 and a molecular weight of 521.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID146388237
Molecular FormulaC29H27N7O3
Molecular Weight521.58 g/mol
Exact Mass521.22
IUPAC Name3-(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
SMILESN#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(O)NC1=O)cn3CCN(C(=O)N1CCCCC1)C2
InChIInChI=1S/C29H27N7O3/c30-14-18-12-19-16-35(29(39)33-7-3-1-4-8-33)11-10-34-17-21(20(13-18)26(19)34)24-25(28(38)32-27(24)37)22-15-31-23-6-2-5-9-36(22)23/h2,5-6,9,12-13,15,17,28,38H,1,3-4,7-8,10-11,16H2,(H,32,37)
InChIKeyMUGISWXJZLBEHP-UHFFFAOYSA-N
XLogP2.94
TPSA118.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(O)NC1=O)cn3CCN(C(=O)N1CCCCC1)C2.
What is the InChIKey of 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?
The InChIKey is MUGISWXJZLBEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O3/c30-14-18-12-19-16-35(29(39)33-7-3-1-4-8-33)11-10-34-17-21(20(13-18)26(19)34)24-25(28(38)32-27(24)37)22-15-31-23-6-2-5-9-36(22)23/h2,5-6,9,12-13,15,17,28,38H,1,3-4,7-8,10-11,16H2,(H,32,37).
What are the key properties of 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?
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 has a molecular weight of 521.58 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146388237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).