2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol

C21H22F3N5O — CID 166961684

IUPAC2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1)C(F)(F)F
InChIInChI=1S/C21H22F3N5O/c1-19(30,21(22,23)24)13-5-6-18-26-9-15(29(18)11-13)14-3-2-4-17(27-14)28-16-10-25-12-20(16)7-8-20/h2-6,9,11,16,25,30H,7-8,10,12H2,1H3,(H,27,28)/t16-,19?/m0/s1
InChIKeyRZHTUCWWEKMCNM-UCFFOFKASA-N
MW417.44 g/mol
LogP3.33
Rot. Bonds4

About 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol

2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 166961684) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID166961684
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1)C(F)(F)F
InChIInChI=1S/C21H22F3N5O/c1-19(30,21(22,23)24)13-5-6-18-26-9-15(29(18)11-13)14-3-2-4-17(27-14)28-16-10-25-12-20(16)7-8-20/h2-6,9,11,16,25,30H,7-8,10,12H2,1H3,(H,27,28)/t16-,19?/m0/s1
InChIKeyRZHTUCWWEKMCNM-UCFFOFKASA-N
XLogP3.33
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

Cyp11B2-IN-1
CID 56645363
2-[5-(1-Cyclopropyl-5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-yl]propan-2-ol
CID 56645568
N-(6-(6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl)pyridin-2-yl)-6-azaspiro[3.4]octan-2-amine
CID 163444570
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 163500241
2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 163718475
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 163944508
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961538
Exemplary Synthetic Procedure #34
CID 166961543
6-(6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl)-N-(2,2-dimethylpyrrolidin-3-yl)pyridin-2-amine
CID 166961580
2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961619
6-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 166961695
Exemplary Synthetic Procedure #38
CID 166961776

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol (CID 166961684) is 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC45CC5)n3)n2c1)C(F)(F)F.
What is the InChIKey of 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RZHTUCWWEKMCNM-UCFFOFKASA-N. The full InChI is InChI=1S/C21H22F3N5O/c1-19(30,21(22,23)24)13-5-6-18-26-9-15(29(18)11-13)14-3-2-4-17(27-14)28-16-10-25-12-20(16)7-8-20/h2-6,9,11,16,25,30H,7-8,10,12H2,1H3,(H,27,28)/t16-,19?/m0/s1.
What are the key properties of 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol?
2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 417.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-[[(7R)-5-azaspiro[2.4]heptan-7-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 166961684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).