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

C22H25FN6O — CID 147331841

IUPAC6-(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
SMILESCOc1cc(-c2[nH]c3cnc(C4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6O/c1-12(2)17-18-15(9-25-21(19(18)23)13-4-6-24-7-5-13)28-20(17)14-8-16(30-3)22-26-11-27-29(22)10-14/h8-13,24,28H,4-7H2,1-3H3
InChIKeyDBUNODZFUPCWFG-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.01
Rot. Bonds4

About 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

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 (PubChem CID 147331841) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID147331841
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name6-(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
SMILESCOc1cc(-c2[nH]c3cnc(C4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H25FN6O/c1-12(2)17-18-15(9-25-21(19(18)23)13-4-6-24-7-5-13)28-20(17)14-8-16(30-3)22-26-11-27-29(22)10-14/h8-13,24,28H,4-7H2,1-3H3
InChIKeyDBUNODZFUPCWFG-UHFFFAOYSA-N
XLogP4.01
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-[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-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
2-(dimethylamino)-1-[4-[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]piperidin-1-yl]ethanone
CID 155226254
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
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
CID 138686809
N-[3-[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]cyclopentyl]oxetan-3-amine
CID 155226073
4-[6-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-[(3-methyloxetan-3-yl)methyl]cyclohexan-1-amine
CID 138686914
5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2[nH]c3cnc(C4CCNCC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is DBUNODZFUPCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-12(2)17-18-15(9-25-21(19(18)23)13-4-6-24-7-5-13)28-20(17)14-8-16(30-3)22-26-11-27-29(22)10-14/h8-13,24,28H,4-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 408.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147331841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).