[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol

C24H25F2N5O2 — CID 118664515

IUPAC[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(COC(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H25F2N5O2/c1-2-5-19(27)21-8-4-7-20(30-21)15-10-16(14-33-24(25)26)18-12-28-31(22(18)11-15)23-9-3-6-17(13-32)29-23/h3-4,6-12,19,24,32H,2,5,13-14,27H2,1H3/t19-/m0/s1
InChIKeyCPNBROAYTFORQS-IBGZPJMESA-N
MW453.49 g/mol
LogP4.51
Rot. Bonds9

About [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664515) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664515
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1cccc(-c2cc(COC(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C24H25F2N5O2/c1-2-5-19(27)21-8-4-7-20(30-21)15-10-16(14-33-24(25)26)18-12-28-31(22(18)11-15)23-9-3-6-17(13-32)29-23/h3-4,6-12,19,24,32H,2,5,13-14,27H2,1H3/t19-/m0/s1
InChIKeyCPNBROAYTFORQS-IBGZPJMESA-N
XLogP4.51
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol (CID 118664515) is [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1cccc(-c2cc(COC(F)F)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is CPNBROAYTFORQS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-2-5-19(27)21-8-4-7-20(30-21)15-10-16(14-33-24(25)26)18-12-28-31(22(18)11-15)23-9-3-6-17(13-32)29-23/h3-4,6-12,19,24,32H,2,5,13-14,27H2,1H3/t19-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 453.49 g/mol, XLogP of 4.51, 9 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-aminobutyl]-2-pyridinyl]-4-(difluoromethoxymethyl)indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).