2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide

C24H29FN8O2 — CID 155226112

IUPAC2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C24H29FN8O2/c1-14(2)19-20-16(30-22(19)15-9-17(35-4)23-28-13-29-33(23)11-15)10-27-24(21(20)25)32-7-5-31(6-8-32)12-18(34)26-3/h9-11,13-14,30H,5-8,12H2,1-4H3,(H,26,34)
InChIKeyOWOMQOUHYCSAMO-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide

2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide (PubChem CID 155226112) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide
PubChem CID155226112
Molecular FormulaC24H29FN8O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC Name2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C24H29FN8O2/c1-14(2)19-20-16(30-22(19)15-9-17(35-4)23-28-13-29-33(23)11-15)10-27-24(21(20)25)32-7-5-31(6-8-32)12-18(34)26-3/h9-11,13-14,30H,5-8,12H2,1-4H3,(H,26,34)
InChIKeyOWOMQOUHYCSAMO-UHFFFAOYSA-N
XLogP2.41
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

Rogocekib
CID 138522180
N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
CID 121411739
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dimethyl-6-piperidin-4-yl-9H-carbazole
CID 156213234
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
2-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766778
4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766931
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-(trifluoromethoxy)aniline
CID 54767087
2-[4-[3-Methoxy-4-[[7-(3-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 56945844
2-[4-[4-[[7-(3-Methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 57394384
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 59251850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide (CID 155226112) is 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1.
What is the InChIKey of 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is OWOMQOUHYCSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-14(2)19-20-16(30-22(19)15-9-17(35-4)23-28-13-29-33(23)11-15)10-27-24(21(20)25)32-7-5-31(6-8-32)12-18(34)26-3/h9-11,13-14,30H,5-8,12H2,1-4H3,(H,26,34).
What are the key properties of 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide?
2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 480.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 155226112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).