[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol

C22H26FN5O2 — CID 158968110

IUPAC[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
SMILESCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1CO
InChIInChI=1S/C22H26FN5O2/c1-14(20-9-18(23)3-2-15(20)13-29)30-21-8-16(10-26-22(21)24)17-11-27-28(12-17)19-4-6-25-7-5-19/h2-3,8-12,14,19,25,29H,4-7,13H2,1H3,(H2,24,26)
InChIKeyJNLSLZBMQVBTLY-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.22
Rot. Bonds6

About [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol

[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol (PubChem CID 158968110) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
PubChem CID158968110
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
SMILESCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1CO
InChIInChI=1S/C22H26FN5O2/c1-14(20-9-18(23)3-2-15(20)13-29)30-21-8-16(10-26-22(21)24)17-11-27-28(12-17)19-4-6-25-7-5-19/h2-3,8-12,14,19,25,29H,4-7,13H2,1H3,(H2,24,26)
InChIKeyJNLSLZBMQVBTLY-UHFFFAOYSA-N
XLogP3.22
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol with MolForge

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Related Compounds

3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
3-[(3-fluorophenoxy)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;hydrochloride
CID 118625534
3-[(2-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 162656396
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
CID 144887695
4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol
CID 58659124
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 54588488
tert-butyl 4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171094194
ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 144887684
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799

Frequently Asked Questions

What is the IUPAC name of [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol?
The IUPAC name of [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol (CID 158968110) is [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol.
What is the SMILES notation for [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol?
The canonical SMILES for [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol is CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1CO.
What is the InChIKey of [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol?
The InChIKey is JNLSLZBMQVBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14(20-9-18(23)3-2-15(20)13-29)30-21-8-16(10-26-22(21)24)17-11-27-28(12-17)19-4-6-25-7-5-19/h2-3,8-12,14,19,25,29H,4-7,13H2,1H3,(H2,24,26).
What are the key properties of [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol?
[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol has a molecular weight of 411.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol is sourced from PubChem (CID 158968110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).