1-[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]piperidin-1-yl]-2-(methylamino)ethanone

C25H30FN7O2 — CID 149389329

IUPAC1-[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]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-14(2)20-21-17(31-23(20)16-9-18(35-4)25-29-13-30-33(25)12-16)10-28-24(22(21)26)15-5-7-32(8-6-15)19(34)11-27-3/h9-10,12-15,27,31H,5-8,11H2,1-4H3
InChIKeyYNFGZZYHEMMDMZ-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.47
Rot. Bonds6

About 1-[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]piperidin-1-yl]-2-(methylamino)ethanone

1-[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]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 149389329) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[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]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[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]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID149389329
Molecular FormulaC25H30FN7O2
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC Name1-[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]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-14(2)20-21-17(31-23(20)16-9-18(35-4)25-29-13-30-33(25)12-16)10-28-24(22(21)26)15-5-7-32(8-6-15)19(34)11-27-3/h9-10,12-15,27,31H,5-8,11H2,1-4H3
InChIKeyYNFGZZYHEMMDMZ-UHFFFAOYSA-N
XLogP3.47
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[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]piperidin-1-yl]-2-(methylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[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]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[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]piperidin-1-yl]-2-(methylamino)ethanone (CID 149389329) is 1-[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]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[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]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[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]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(c2ncc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2F)CC1.
What is the InChIKey of 1-[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]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is YNFGZZYHEMMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2/c1-14(2)20-21-17(31-23(20)16-9-18(35-4)25-29-13-30-33(25)12-16)10-28-24(22(21)26)15-5-7-32(8-6-15)19(34)11-27-3/h9-10,12-15,27,31H,5-8,11H2,1-4H3.
What are the key properties of 1-[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]piperidin-1-yl]-2-(methylamino)ethanone?
1-[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]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 479.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[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]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 149389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).