2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide

C28H37N7O2 — CID 138686238

About 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide

2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide (PubChem CID 138686238) has the molecular formula C28H37N7O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
• PubChem CID: 138686238
• Molecular Formula: C28H37N7O2
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.30
• IUPAC Name: 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
• SMILES: COCc1cc(-c2[nH]c3ccc(C4CCC(NCC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C28H37N7O2/c1-17(2)25-26(19-12-20(15-37-5)28-30-16-31-35(28)14-19)33-23-11-10-22(32-27(23)25)18-6-8-21(9-7-18)29-13-24(36)34(3)4/h10-12,14,16-18,21,29,33H,6-9,13,15H2,1-5H3
• InChIKey: DAXQRTDVRDOMEN-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 100.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide (CID 138686238) is 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide is COCc1cc(-c2[nH]c3ccc(C4CCC(NCC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12.

What is the InChIKey of 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?

The InChIKey is DAXQRTDVRDOMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-17(2)25-26(19-12-20(15-37-5)28-30-16-31-35(28)14-19)33-23-11-10-22(32-27(23)25)18-6-8-21(9-7-18)29-13-24(36)34(3)4/h10-12,14,16-18,21,29,33H,6-9,13,15H2,1-5H3.

What are the key properties of 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?

2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide has a molecular weight of 503.65 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-[8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 138686238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).