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

C22H22F3N7O — CID 155356254

IUPAC2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol
SMILESCC(C)N1CC(C(O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1
InChIInChI=1S/C22H22F3N7O/c1-13(2)31-10-16(11-31)21(33,22(23,24)25)15-3-4-18(27-8-15)32-9-14(7-30-32)17-5-6-26-20-19(17)28-12-29-20/h3-9,12-13,16,33H,10-11H2,1-2H3,(H,26,28,29)
InChIKeyVLBZJDHVRZKPEY-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.30
Rot. Bonds5

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

2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol (PubChem CID 155356254) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol
PubChem CID155356254
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol
SMILESCC(C)N1CC(C(O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1
InChIInChI=1S/C22H22F3N7O/c1-13(2)31-10-16(11-31)21(33,22(23,24)25)15-3-4-18(27-8-15)32-9-14(7-30-32)17-5-6-26-20-19(17)28-12-29-20/h3-9,12-13,16,33H,10-11H2,1-2H3,(H,26,28,29)
InChIKeyVLBZJDHVRZKPEY-UHFFFAOYSA-N
XLogP3.30
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol with MolForge

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Related Compounds

1-(1-ethylazetidin-3-yl)-2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
CID 155356391
(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
4,4,4-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butane-1-sulfonamide
CID 175708488
N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]cyclopentanecarboxamide
CID 155356754
2-hydroxy-2-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 155356698
2-cyano-N-[4,4,4-trifluoro-3-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]butyl]acetamide
CID 155356537
2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile
CID 167578782
1-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoro-1-piperidin-4-ylethanol;tert-butyl 4-[1-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 167538663
2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 175708498
azetidin-1-yl-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]methanone
CID 163211459
(3E,4Z)-6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-2-(1-oxo-1,4-thiazinan-4-yl)-3-propylidenehepta-4,6-dienenitrile
CID 155356439
2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
CID 155357005

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol (CID 155356254) is 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol is CC(C)N1CC(C(O)(c2ccc(-n3cc(-c4ccnc5nc[nH]c45)cn3)nc2)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol?
The InChIKey is VLBZJDHVRZKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-13(2)31-10-16(11-31)21(33,22(23,24)25)15-3-4-18(27-8-15)32-9-14(7-30-32)17-5-6-26-20-19(17)28-12-29-20/h3-9,12-13,16,33H,10-11H2,1-2H3,(H,26,28,29).
What are the key properties of 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol?
2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol has a molecular weight of 457.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]-1-(1-propan-2-ylazetidin-3-yl)ethanol is sourced from PubChem (CID 155356254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).