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

C26H32FN7O — CID 138686280

IUPAC2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32FN7O/c1-15(2)22-24(18-10-16(3)26-28-14-29-34(26)12-18)30-20-11-19(27)23(31-25(20)22)17-6-8-33(9-7-17)13-21(35)32(4)5/h10-12,14-15,17,30H,6-9,13H2,1-5H3
InChIKeyHCHSPIKJYBEXTK-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.11
Rot. Bonds5

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

2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 138686280) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID138686280
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC Name2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32FN7O/c1-15(2)22-24(18-10-16(3)26-28-14-29-34(26)12-18)30-20-11-19(27)23(31-25(20)22)17-6-8-33(9-7-17)13-21(35)32(4)5/h10-12,14-15,17,30H,6-9,13H2,1-5H3
InChIKeyHCHSPIKJYBEXTK-UHFFFAOYSA-N
XLogP4.11
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 138686280) is 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is Cc1cc(-c2[nH]c3cc(F)c(C4CCN(CC(=O)N(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HCHSPIKJYBEXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-15(2)22-24(18-10-16(3)26-28-14-29-34(26)12-18)30-20-11-19(27)23(31-25(20)22)17-6-8-33(9-7-17)13-21(35)32(4)5/h10-12,14-15,17,30H,6-9,13H2,1-5H3.
What are the key properties of 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 477.59 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 138686280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).