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

C29H39FN8O — CID 147721475

IUPAC6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C5CCN(C(C)C)CC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H39FN8O/c1-18(2)24-25-22(34-27(24)20-14-23(39-5)28-32-17-33-38(28)16-20)15-31-29(26(25)30)37-12-10-36(11-13-37)21-6-8-35(9-7-21)19(3)4/h14-19,21,34H,6-13H2,1-5H3
InChIKeyGWQULQAHGYTHJU-UHFFFAOYSA-N
MW534.68 g/mol
LogP4.54
Rot. Bonds6

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

6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 147721475) has the molecular formula C29H39FN8O and a molecular weight of 534.68 g/mol. Its IUPAC name is 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID147721475
Molecular FormulaC29H39FN8O
Molecular Weight534.68 g/mol
Exact Mass534.32
IUPAC Name6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C5CCN(C(C)C)CC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H39FN8O/c1-18(2)24-25-22(34-27(24)20-14-23(39-5)28-32-17-33-38(28)16-20)15-31-29(26(25)30)37-12-10-36(11-13-37)21-6-8-35(9-7-21)19(3)4/h14-19,21,34H,6-13H2,1-5H3
InChIKeyGWQULQAHGYTHJU-UHFFFAOYSA-N
XLogP4.54
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.68
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine (CID 147721475) is 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-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(C5CCN(C(C)C)CC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GWQULQAHGYTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN8O/c1-18(2)24-25-22(34-27(24)20-14-23(39-5)28-32-17-33-38(28)16-20)15-31-29(26(25)30)37-12-10-36(11-13-37)21-6-8-35(9-7-21)19(3)4/h14-19,21,34H,6-13H2,1-5H3.
What are the key properties of 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 534.68 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-propan-2-yl-5-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 147721475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).