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

C27H34FN7O2 — CID 153246359

IUPAC6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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(CC5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34FN7O2/c1-17(2)22-23-20(32-25(22)19-12-21(36-3)26-30-16-31-35(26)15-19)13-29-27(24(23)28)34-8-6-33(7-9-34)14-18-4-10-37-11-5-18/h12-13,15-18,32H,4-11,14H2,1-3H3
InChIKeyWSLODEWZDBLQOL-UHFFFAOYSA-N
MW507.61 g/mol
LogP4.09
Rot. Bonds6

About 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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-4-ylmethyl)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 153246359) has the molecular formula C27H34FN7O2 and a molecular weight of 507.61 g/mol. Its IUPAC name is 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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-4-ylmethyl)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 CID153246359
Molecular FormulaC27H34FN7O2
Molecular Weight507.61 g/mol
Exact Mass507.28
IUPAC Name6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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(CC5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H34FN7O2/c1-17(2)22-23-20(32-25(22)19-12-21(36-3)26-30-16-31-35(26)15-19)13-29-27(24(23)28)34-8-6-33(7-9-34)14-18-4-10-37-11-5-18/h12-13,15-18,32H,4-11,14H2,1-3H3
InChIKeyWSLODEWZDBLQOL-UHFFFAOYSA-N
XLogP4.09
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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-4-ylmethyl)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 153246359) is 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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-4-ylmethyl)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-4-ylmethyl)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(CC5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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 WSLODEWZDBLQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7O2/c1-17(2)22-23-20(32-25(22)19-12-21(36-3)26-30-16-31-35(26)15-19)13-29-27(24(23)28)34-8-6-33(7-9-34)14-18-4-10-37-11-5-18/h12-13,15-18,32H,4-11,14H2,1-3H3.
What are the key properties of 6-[4-fluoro-5-[4-(oxan-4-ylmethyl)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-4-ylmethyl)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 507.61 g/mol, XLogP of 4.09, 6 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-4-ylmethyl)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 153246359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).