6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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

C30H41FN8O — CID 155226218

IUPAC6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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(C5CCN(C(C)C)CC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C30H41FN8O/c1-18(2)25-26-23(35-28(25)21-13-24(40-6)29-33-17-34-39(29)16-21)14-32-30(27(26)31)38-12-11-37(15-20(38)5)22-7-9-36(10-8-22)19(3)4/h13-14,16-20,22,35H,7-12,15H2,1-6H3/t20-/m1/s1
InChIKeyQMOYQMCIQMCILK-HXUWFJFHSA-N
MW548.71 g/mol
LogP4.93
Rot. Bonds6

About 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 155226218) has the molecular formula C30H41FN8O and a molecular weight of 548.71 g/mol. Its IUPAC name is 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 CID155226218
Molecular FormulaC30H41FN8O
Molecular Weight548.71 g/mol
Exact Mass548.34
IUPAC Name6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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(C5CCN(C(C)C)CC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C30H41FN8O/c1-18(2)25-26-23(35-28(25)21-13-24(40-6)29-33-17-34-39(29)16-21)14-32-30(27(26)31)38-12-11-37(15-20(38)5)22-7-9-36(10-8-22)19(3)4/h13-14,16-20,22,35H,7-12,15H2,1-6H3/t20-/m1/s1
InChIKeyQMOYQMCIQMCILK-HXUWFJFHSA-N
XLogP4.93
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.71
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 155226218) is 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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(C5CCN(C(C)C)CC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 QMOYQMCIQMCILK-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H41FN8O/c1-18(2)25-26-23(35-28(25)21-13-24(40-6)29-33-17-34-39(29)16-21)14-32-30(27(26)31)38-12-11-37(15-20(38)5)22-7-9-36(10-8-22)19(3)4/h13-14,16-20,22,35H,7-12,15H2,1-6H3/t20-/m1/s1.
What are the key properties of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 548.71 g/mol, XLogP of 4.93, 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-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-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 155226218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).