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

C21H24FN7O — CID 155226106

IUPAC6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cnc(N4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24FN7O/c1-12(2)16-17-14(9-24-21(18(17)22)28-6-4-23-5-7-28)27-19(16)13-8-15(30-3)20-25-11-26-29(20)10-13/h8-12,23,27H,4-7H2,1-3H3
InChIKeyWYELZXQVWDRJSI-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.95
Rot. Bonds4

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

6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155226106) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155226106
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cnc(N4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24FN7O/c1-12(2)16-17-14(9-24-21(18(17)22)28-6-4-23-5-7-28)27-19(16)13-8-15(30-3)20-25-11-26-29(20)10-13/h8-12,23,27H,4-7H2,1-3H3
InChIKeyWYELZXQVWDRJSI-UHFFFAOYSA-N
XLogP2.95
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[4-fluoro-5-[4-(oxetan-3-yl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 155226196
6-(4-fluoro-5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 147331841
6-[4-fluoro-3-propan-2-yl-5-(6-propyl-2,6-diazaspiro[3.3]heptan-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 151370822
2-[[1-[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]piperidin-4-yl]-methylamino]acetamide
CID 155226283
8-methoxy-6-[4-methyl-5-[4-(oxan-4-ylmethyl)piperidin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158237983
N-but-1-en-2-yl-1-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-methyl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]piperidin-4-amine
CID 155382062
1-[4-fluoro-2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-N-(3-methyloxetan-3-yl)piperidin-4-amine
CID 147519918
8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
CID 140830339
6-[4-fluoro-5-[(2R)-2-methylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155355862
6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382086
6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155382109
2-[4-[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 155226142

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 155226106) is 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3cnc(N4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WYELZXQVWDRJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-12(2)16-17-14(9-24-21(18(17)22)28-6-4-23-5-7-28)27-19(16)13-8-15(30-3)20-25-11-26-29(20)10-13/h8-12,23,27H,4-7H2,1-3H3.
What are the key properties of 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 409.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-5-piperazin-1-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155226106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).