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

C26H34N8O2 — CID 138686308

IUPAC2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NCC(=O)N(C)C)CC3)nc12
InChIInChI=1S/C26H34N8O2/c1-16(2)23-24(17-11-18(14-35)26-28-15-29-34(26)13-17)30-20-5-6-21(31-25(20)23)33-9-7-19(8-10-33)27-12-22(36)32(3)4/h5-6,11,13,15-16,19,27,30,35H,7-10,12,14H2,1-4H3
InChIKeyRRXHFMNPQUTSLZ-UHFFFAOYSA-N
MW490.61 g/mol
LogP2.53
Rot. Bonds7

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

2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide (PubChem CID 138686308) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide
PubChem CID138686308
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC Name2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NCC(=O)N(C)C)CC3)nc12
InChIInChI=1S/C26H34N8O2/c1-16(2)23-24(17-11-18(14-35)26-28-15-29-34(26)13-17)30-20-5-6-21(31-25(20)23)33-9-7-19(8-10-33)27-12-22(36)32(3)4/h5-6,11,13,15-16,19,27,30,35H,7-10,12,14H2,1-4H3
InChIKeyRRXHFMNPQUTSLZ-UHFFFAOYSA-N
XLogP2.53
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide (CID 138686308) is 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide is CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(N3CCC(NCC(=O)N(C)C)CC3)nc12.
What is the InChIKey of 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide?
The InChIKey is RRXHFMNPQUTSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-16(2)23-24(17-11-18(14-35)26-28-15-29-34(26)13-17)30-20-5-6-21(31-25(20)23)33-9-7-19(8-10-33)27-12-22(36)32(3)4/h5-6,11,13,15-16,19,27,30,35H,7-10,12,14H2,1-4H3.
What are the key properties of 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide?
2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide has a molecular weight of 490.61 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 138686308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).