[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

C20H18FN5O — CID 118663642

IUPAC[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCC(N)c1ccc(F)c(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C20H18FN5O/c1-12(22)17-8-7-16(21)20(25-17)13-5-6-14-10-23-26(18(14)9-13)19-4-2-3-15(11-27)24-19/h2-10,12,27H,11,22H2,1H3
InChIKeyOVAOXNDGOKSFCX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.13
Rot. Bonds4

About [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663642) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663642
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCC(N)c1ccc(F)c(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C20H18FN5O/c1-12(22)17-8-7-16(21)20(25-17)13-5-6-14-10-23-26(18(14)9-13)19-4-2-3-15(11-27)24-19/h2-10,12,27H,11,22H2,1H3
InChIKeyOVAOXNDGOKSFCX-UHFFFAOYSA-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-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol with MolForge

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Related Compounds

[1-[3-Fluoro-4-[[2-(piperidin-4-ylamino)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
CID 156212505
[1-[3-Fluoro-4-[[2-(piperidin-4-ylmethyl)-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
CID 162439975
3-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
CID 72714951
1-[3-(2-fluoro-4-pyridinyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118168984
[4-[4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
CID 118711860
4-(6-(6-(1-Methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)azepan-4-ol
CID 72714576
US10246456, Example 270
CID 118663562
US10246456, Example 209
CID 118663605
US10246456, Example 579
CID 118663645
US10246456, Example 437
CID 118663658
US10246456, Example 111
CID 118663752
US10577367, Example 452
CID 118663769

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol (CID 118663642) is [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is CC(N)c1ccc(F)c(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is OVAOXNDGOKSFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-12(22)17-8-7-16(21)20(25-17)13-5-6-14-10-23-26(18(14)9-13)19-4-2-3-15(11-27)24-19/h2-10,12,27H,11,22H2,1H3.
What are the key properties of [6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-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-(1-aminoethyl)-3-fluoro-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).