[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol

C20H18FN5O — CID 118664119

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4nc(CO)ccc4F)c3c2)n1
InChIInChI=1S/C20H18FN5O/c1-12(22)17-3-2-4-18(25-17)13-5-6-14-10-23-26(19(14)9-13)20-16(21)8-7-15(11-27)24-20/h2-10,12,27H,11,22H2,1H3/t12-/m0/s1
InChIKeyVAEABSPDMZHUDI-LBPRGKRZSA-N
MW363.40 g/mol
LogP3.13
Rot. Bonds4

About [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol (PubChem CID 118664119) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol
PubChem CID118664119
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4nc(CO)ccc4F)c3c2)n1
InChIInChI=1S/C20H18FN5O/c1-12(22)17-3-2-4-18(25-17)13-5-6-14-10-23-26(19(14)9-13)20-16(21)8-7-15(11-27)24-20/h2-10,12,27H,11,22H2,1H3/t12-/m0/s1
InChIKeyVAEABSPDMZHUDI-LBPRGKRZSA-N
XLogP3.13
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-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-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol (CID 118664119) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol is C[C@H](N)c1cccc(-c2ccc3cnn(-c4nc(CO)ccc4F)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol?
The InChIKey is VAEABSPDMZHUDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12(22)17-3-2-4-18(25-17)13-5-6-14-10-23-26(19(14)9-13)20-16(21)8-7-15(11-27)24-20/h2-10,12,27H,11,22H2,1H3/t12-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol has a molecular weight of 363.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-5-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 118664119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).