[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol

C20H18FN5O — CID 118663868

IUPAC[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol
SMILESNCCc1cccc(-c2cc(F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C20H18FN5O/c21-17-9-13(18-5-1-3-14(24-18)7-8-22)10-19-16(17)11-23-26(19)20-6-2-4-15(12-27)25-20/h1-6,9-11,27H,7-8,12,22H2
InChIKeyKOOMUUGZNPBLHS-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.62
Rot. Bonds5

About [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118663868) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol
PubChem CID118663868
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol
SMILESNCCc1cccc(-c2cc(F)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C20H18FN5O/c21-17-9-13(18-5-1-3-14(24-18)7-8-22)10-19-16(17)11-23-26(19)20-6-2-4-15(12-27)25-20/h1-6,9-11,27H,7-8,12,22H2
InChIKeyKOOMUUGZNPBLHS-UHFFFAOYSA-N
XLogP2.62
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
[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-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
CID 156212603
[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-[4-[3-Ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]phenyl]methanol
CID 137641548
(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-piperidin-4-ylethanol
CID 166629812
[5-[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]-2-fluorophenyl]methanol
CID 57377876
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

Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol (CID 118663868) is [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol is NCCc1cccc(-c2cc(F)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is KOOMUUGZNPBLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-17-9-13(18-5-1-3-14(24-18)7-8-22)10-19-16(17)11-23-26(19)20-6-2-4-15(12-27)25-20/h1-6,9-11,27H,7-8,12,22H2.
What are the key properties of [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 363.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-(2-aminoethyl)-2-pyridinyl]-4-fluoroindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118663868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).