6-[4-fluoro-5-[4-(oxan-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

C26H32FN7O2 — CID 146711640

IUPAC6-[4-fluoro-5-[4-(oxan-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
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C5CCCOC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32FN7O2/c1-16(2)21-22-19(31-24(21)17-11-20(35-3)25-29-15-30-34(25)13-17)12-28-26(23(22)27)33-8-6-32(7-9-33)18-5-4-10-36-14-18/h11-13,15-16,18,31H,4-10,14H2,1-3H3
InChIKeyRBWOKUSITSMKFK-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.84
Rot. Bonds5

About 6-[4-fluoro-5-[4-(oxan-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

6-[4-fluoro-5-[4-(oxan-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 (PubChem CID 146711640) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 6-[4-fluoro-5-[4-(oxan-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.

Molecular Properties

Compound Name6-[4-fluoro-5-[4-(oxan-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
PubChem CID146711640
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name6-[4-fluoro-5-[4-(oxan-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
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C5CCCOC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H32FN7O2/c1-16(2)21-22-19(31-24(21)17-11-20(35-3)25-29-15-30-34(25)13-17)12-28-26(23(22)27)33-8-6-32(7-9-33)18-5-4-10-36-14-18/h11-13,15-16,18,31H,4-10,14H2,1-3H3
InChIKeyRBWOKUSITSMKFK-UHFFFAOYSA-N
XLogP3.84
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-fluoro-5-[4-(oxan-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 with MolForge

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Related Compounds

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CID 59199121
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
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PI3Kdelta Inhibitor 1
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N-[2-methoxy-5-[1-methyl-4-[[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]methoxy]pyrazolo[5,4-b]pyridin-6-yl]-3-pyridinyl]methanesulfonamide
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CID 11575755
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(R)-1-[4-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-propan-2-ol
CID 24884602
(2R)-1-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 24884826

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[4-(oxan-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?
The IUPAC name of 6-[4-fluoro-5-[4-(oxan-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 146711640) is 6-[4-fluoro-5-[4-(oxan-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.
What is the SMILES notation for 6-[4-fluoro-5-[4-(oxan-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?
The canonical SMILES for 6-[4-fluoro-5-[4-(oxan-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 is COc1cc(-c2[nH]c3cnc(N4CCN(C5CCCOC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-fluoro-5-[4-(oxan-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?
The InChIKey is RBWOKUSITSMKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-16(2)21-22-19(31-24(21)17-11-20(35-3)25-29-15-30-34(25)13-17)12-28-26(23(22)27)33-8-6-32(7-9-33)18-5-4-10-36-14-18/h11-13,15-16,18,31H,4-10,14H2,1-3H3.
What are the key properties of 6-[4-fluoro-5-[4-(oxan-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?
6-[4-fluoro-5-[4-(oxan-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 has a molecular weight of 493.59 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-5-[4-(oxan-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 is sourced from PubChem (CID 146711640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).