4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H25FN8O2 — CID 166792933

About 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166792933) has the molecular formula C28H25FN8O2 and a molecular weight of 524.56 g/mol. Its IUPAC name is 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166792933
• Molecular Formula: C28H25FN8O2
• Molecular Weight: 524.56 g/mol
• Exact Mass: 524.21
• IUPAC Name: 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(-c2cc(OCC3(O)CC3)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C28H25FN8O2/c1-18(19-3-6-26(32-11-19)36-15-22(29)14-34-36)35(2)25-5-4-20(12-31-25)24-9-23(39-17-28(38)7-8-28)16-37-27(24)21(10-30)13-33-37/h3-6,9,11-16,18,38H,7-8,17H2,1-2H3
• InChIKey: MXBMFESHRJIOMM-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 117.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166792933) is 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(c1ccc(-n2cc(F)cn2)nc1)N(C)c1ccc(-c2cc(OCC3(O)CC3)cn3ncc(C#N)c23)cn1.

What is the InChIKey of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is MXBMFESHRJIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8O2/c1-18(19-3-6-26(32-11-19)36-15-22(29)14-34-36)35(2)25-5-4-20(12-31-25)24-9-23(39-17-28(38)7-8-28)16-37-27(24)21(10-30)13-33-37/h3-6,9,11-16,18,38H,7-8,17H2,1-2H3.

What are the key properties of 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 524.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl-methylamino]-3-pyridinyl]-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166792933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).