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

C29H28N8O3 — CID 155176762

About 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

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 (PubChem CID 155176762) has the molecular formula C29H28N8O3 and a molecular weight of 536.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155176762
• Molecular Formula: C29H28N8O3
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.23
• IUPAC Name: 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
• SMILES: N#Cc1cc2c3c(c1)c(-c1[nH][nH]c(=O)c1-c1cnc4ccccn14)cn3CCN(C(=O)N1CCC(CO)CC1)C2
• InChI: InChI=1S/C29H28N8O3/c30-13-19-11-20-15-36(29(40)34-7-4-18(17-38)5-8-34)10-9-35-16-22(21(12-19)27(20)35)26-25(28(39)33-32-26)23-14-31-24-3-1-2-6-37(23)24/h1-3,6,11-12,14,16,18,38H,4-5,7-10,15,17H2,(H2,32,33,39)
• InChIKey: JCLLCBIFSFABAH-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 138.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1cc2c3c(c1)c(-c1[nH][nH]c(=O)c1-c1cnc4ccccn14)cn3CCN(C(=O)N1CCC(CO)CC1)C2.

What is the InChIKey of 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?

The InChIKey is JCLLCBIFSFABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O3/c30-13-19-11-20-15-36(29(40)34-7-4-18(17-38)5-8-34)10-9-35-16-22(21(12-19)27(20)35)26-25(28(39)33-32-26)23-14-31-24-3-1-2-6-37(23)24/h1-3,6,11-12,14,16,18,38H,4-5,7-10,15,17H2,(H2,32,33,39).

What are the key properties of 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?

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 has a molecular weight of 536.60 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155176762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).