[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol

C24H25F2N5O2 — CID 118664084

IUPAC[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CC(C)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H25F2N5O2/c1-3-33-22-11-15(19-7-5-8-20(30-19)18(27)12-24(2,25)26)10-21-17(22)13-28-31(21)23-9-4-6-16(14-32)29-23/h4-11,13,18,32H,3,12,14,27H2,1-2H3/t18-/m0/s1
InChIKeyAFPZIRXMQIKTJE-SFHVURJKSA-N
MW453.49 g/mol
LogP4.42
Rot. Bonds8

About [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664084) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664084
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CC(C)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H25F2N5O2/c1-3-33-22-11-15(19-7-5-8-20(30-19)18(27)12-24(2,25)26)10-21-17(22)13-28-31(21)23-9-4-6-16(14-32)29-23/h4-11,13,18,32H,3,12,14,27H2,1-2H3/t18-/m0/s1
InChIKeyAFPZIRXMQIKTJE-SFHVURJKSA-N
XLogP4.42
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

AZ-Tak1
CID 71543324
4-[[4-(4-Methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24961360
4-[[4-[4-(3-Hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743442
4-[[4-(4-Propoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743458
4-(6-Ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(3-methoxy-5-(trifluoromethyl)phenyl)pyrimidin-2-amine
CID 6539390
US10266548, Example 8-4
CID 89487463
US10246456, Example 510
CID 118663577
US10246456, Example 572
CID 118663619
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10577367, Example 452
CID 118663769
US10246456, Example 514
CID 118663777

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol (CID 118664084) is [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is CCOc1cc(-c2cccc([C@@H](N)CC(C)(F)F)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is AFPZIRXMQIKTJE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-3-33-22-11-15(19-7-5-8-20(30-19)18(27)12-24(2,25)26)10-21-17(22)13-28-31(21)23-9-4-6-16(14-32)29-23/h4-11,13,18,32H,3,12,14,27H2,1-2H3/t18-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 453.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-amino-3,3-difluorobutyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).