ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol

C23H35N7O2 — CID 177242887

About ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol

ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol (PubChem CID 177242887) has the molecular formula C23H35N7O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol.

Molecular Properties

• Compound Name: ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
• PubChem CID: 177242887
• Molecular Formula: C23H35N7O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.29
• IUPAC Name: ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol
• SMILES: CC.CN1CC(O)CCC(Cc2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)C1
• InChI: InChI=1S/C21H29N7O2.C2H6/c1-26-13-15(2-3-17(29)14-26)10-16-11-20(27-6-8-30-9-7-27)24-21-18(16)12-23-28(21)19-4-5-22-25-19;1-2/h4-5,11-12,15,17,29H,2-3,6-10,13-14H2,1H3,(H,22,25);1-2H3
• InChIKey: NXFRKZARSVZEPU-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 95.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?

The IUPAC name of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol (CID 177242887) is ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol.

What is the SMILES notation for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?

The canonical SMILES for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol is CC.CN1CC(O)CCC(Cc2cc(N3CCOCC3)nc3c2cnn3-c2ccn[nH]2)C1.

What is the InChIKey of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?

The InChIKey is NXFRKZARSVZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2.C2H6/c1-26-13-15(2-3-17(29)14-26)10-16-11-20(27-6-8-30-9-7-27)24-21-18(16)12-23-28(21)19-4-5-22-25-19;1-2/h4-5,11-12,15,17,29H,2-3,6-10,13-14H2,1H3,(H,22,25);1-2H3.

What are the key properties of ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol?

ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol has a molecular weight of 441.58 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-6-[[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]methyl]azepan-3-ol is sourced from PubChem (CID 177242887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).