4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol

C22H25ClFN5O2 — CID 58659124

IUPAC4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol
SMILESCC(Oc1cc(-c2cnn(CC3(O)CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C22H25ClFN5O2/c1-14(18-9-17(24)2-3-19(18)23)31-20-8-15(10-27-21(20)25)16-11-28-29(12-16)13-22(30)4-6-26-7-5-22/h2-3,8-12,14,26,30H,4-7,13H2,1H3,(H2,25,27)
InChIKeyFAKRTGPKTFKNHY-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.57
Rot. Bonds6

About 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol

4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol (PubChem CID 58659124) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol
PubChem CID58659124
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol
SMILESCC(Oc1cc(-c2cnn(CC3(O)CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C22H25ClFN5O2/c1-14(18-9-17(24)2-3-19(18)23)31-20-8-15(10-27-21(20)25)16-11-28-29(12-16)13-22(30)4-6-26-7-5-22/h2-3,8-12,14,26,30H,4-7,13H2,1H3,(H2,25,27)
InChIKeyFAKRTGPKTFKNHY-UHFFFAOYSA-N
XLogP3.57
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
CID 158968110
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine
CID 146185139
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
CID 143190162
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 72986690
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyridin-2-amine
CID 11568619
5-[1-(2-cyclopentylethyl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 58659156
5-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 71722447
4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]pyrrolidin-3-ol
CID 78160804
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol (CID 58659124) is 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol is CC(Oc1cc(-c2cnn(CC3(O)CCNCC3)c2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is FAKRTGPKTFKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-14(18-9-17(24)2-3-19(18)23)31-20-8-15(10-27-21(20)25)16-11-28-29(12-16)13-22(30)4-6-26-7-5-22/h2-3,8-12,14,26,30H,4-7,13H2,1H3,(H2,25,27).
What are the key properties of 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol?
4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 445.93 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-amino-5-[1-(2-chloro-5-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 58659124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).