(1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol

C21H20F3N7O — CID 155356251

About (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol

(1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 155356251) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

• Compound Name: (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol
• PubChem CID: 155356251
• Molecular Formula: C21H20F3N7O
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.17
• IUPAC Name: (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol
• SMILES: CN1CCC([C@](O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1
• InChI: InChI=1S/C21H20F3N7O/c1-30-7-5-15(11-30)20(32,21(22,23)24)14-2-3-17(26-9-14)31-10-13(8-29-31)16-4-6-25-19-18(16)27-12-28-19/h2-4,6,8-10,12,15,32H,5,7,11H2,1H3,(H,25,27,28)/t15?,20-/m1/s1
• InChIKey: QWFJNTVVZZSTEM-YQYDADCPSA-N
• XLogP: 2.91
• TPSA: 95.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol?

The IUPAC name of (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol (CID 155356251) is (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol.

What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol?

The canonical SMILES for (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC([C@](O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1.

What is the InChIKey of (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol?

The InChIKey is QWFJNTVVZZSTEM-YQYDADCPSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-30-7-5-15(11-30)20(32,21(22,23)24)14-2-3-17(26-9-14)31-10-13(8-29-31)16-4-6-25-19-18(16)27-12-28-19/h2-4,6,8-10,12,15,32H,5,7,11H2,1H3,(H,25,27,28)/t15?,20-/m1/s1.

What are the key properties of (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol?

(1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 443.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 155356251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).