ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine

C32H46F3N7O2 — CID 176966435

About ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine

ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 176966435) has the molecular formula C32H46F3N7O2 and a molecular weight of 617.76 g/mol. Its IUPAC name is ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine
• PubChem CID: 176966435
• Molecular Formula: C32H46F3N7O2
• Molecular Weight: 617.76 g/mol
• Exact Mass: 617.37
• IUPAC Name: ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine
• SMILES: CC.CCCC(O)(CCC(C)CC)c1cc(N2CCOCC2)nc2c1cnn2-c1ccn[nH]1.Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C23H34N6O2.C7H6F3N.C2H6/c1-4-8-23(30,9-6-17(3)5-2)19-15-21(28-11-13-31-14-12-28)26-22-18(19)16-25-29(22)20-7-10-24-27-20;1-5-6(7(8,9)10)3-2-4-11-5;1-2/h7,10,15-17,30H,4-6,8-9,11-14H2,1-3H3,(H,24,27);2-4H,1H3;1-2H3
• InChIKey: CVWKGJYGXVSDBR-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 104.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.76
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine?

The IUPAC name of ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine (CID 176966435) is ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine.

What is the SMILES notation for ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine?

The canonical SMILES for ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine is CC.CCCC(O)(CCC(C)CC)c1cc(N2CCOCC2)nc2c1cnn2-c1ccn[nH]1.Cc1ncccc1C(F)(F)F.

What is the InChIKey of ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine?

The InChIKey is CVWKGJYGXVSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2.C7H6F3N.C2H6/c1-4-8-23(30,9-6-17(3)5-2)19-15-21(28-11-13-31-14-12-28)26-22-18(19)16-25-29(22)20-7-10-24-27-20;1-5-6(7(8,9)10)3-2-4-11-5;1-2/h7,10,15-17,30H,4-6,8-9,11-14H2,1-3H3,(H,24,27);2-4H,1H3;1-2H3.

What are the key properties of ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine?

ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 617.76 g/mol, XLogP of 7.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-methyl-4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]nonan-4-ol;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 176966435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).