2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone

C27H33FN8O3 — CID 155226304

IUPAC2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(CC(=O)N5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33FN8O3/c1-17(2)22-23-19(32-25(22)18-12-20(38-3)26-30-16-31-36(26)14-18)13-29-27(24(23)28)35-6-4-33(5-7-35)15-21(37)34-8-10-39-11-9-34/h12-14,16-17,32H,4-11,15H2,1-3H3
InChIKeyVESDAAISZUWAFD-UHFFFAOYSA-N
MW536.61 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 155226304) has the molecular formula C27H33FN8O3 and a molecular weight of 536.61 g/mol. Its IUPAC name is 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID155226304
Molecular FormulaC27H33FN8O3
Molecular Weight536.61 g/mol
Exact Mass536.27
IUPAC Name2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(CC(=O)N5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33FN8O3/c1-17(2)22-23-19(32-25(22)18-12-20(38-3)26-30-16-31-36(26)14-18)13-29-27(24(23)28)35-6-4-33(5-7-35)15-21(37)34-8-10-39-11-9-34/h12-14,16-17,32H,4-11,15H2,1-3H3
InChIKeyVESDAAISZUWAFD-UHFFFAOYSA-N
XLogP2.52
TPSA104.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 155226304) is 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone is COc1cc(-c2[nH]c3cnc(N4CCN(CC(=O)N5CCOCC5)CC4)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is VESDAAISZUWAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN8O3/c1-17(2)22-23-19(32-25(22)18-12-20(38-3)26-30-16-31-36(26)14-18)13-29-27(24(23)28)35-6-4-33(5-7-35)15-21(37)34-8-10-39-11-9-34/h12-14,16-17,32H,4-11,15H2,1-3H3.
What are the key properties of 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 536.61 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[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]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 155226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).