1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol

C24H26ClN7O3 — CID 67020615

IUPAC1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol
SMILESCc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)c(Cl)c2)cn1
InChIInChI=1S/C24H26ClN7O3/c1-15-2-3-18(13-26-15)35-17-4-5-20(19(25)12-17)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-16(33)7-9-32/h2-5,12-14,16,33H,6-11H2,1H3,(H2,27,28,29,30,31)
InChIKeyFKIXBXWMIHTZLM-UHFFFAOYSA-N
MW495.97 g/mol
LogP4.08
Rot. Bonds8

About 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol

1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol (PubChem CID 67020615) has the molecular formula C24H26ClN7O3 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol
PubChem CID67020615
Molecular FormulaC24H26ClN7O3
Molecular Weight495.97 g/mol
Exact Mass495.18
IUPAC Name1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol
SMILESCc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)c(Cl)c2)cn1
InChIInChI=1S/C24H26ClN7O3/c1-15-2-3-18(13-26-15)35-17-4-5-20(19(25)12-17)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-16(33)7-9-32/h2-5,12-14,16,33H,6-11H2,1H3,(H2,27,28,29,30,31)
InChIKeyFKIXBXWMIHTZLM-UHFFFAOYSA-N
XLogP4.08
TPSA121.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11525836
(2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol
CID 69474064
3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11525759
3-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 67020626
1-[4-[3-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]propyl]piperazin-1-yl]ethanone
CID 11685247
[(2R)-1-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]pyrrolidin-2-yl]methanol
CID 11620216
(2S)-1-(3-hydroxypyrrolidin-1-yl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropan-1-one
CID 69490284
6-chloro-5-methyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 59453247
1-[(2S)-2-[[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxymethyl]pyrrolidin-1-yl]-2-hydroxyethanone
CID 69025146
2-(azepan-1-yl)-4-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]anilino]-6H-pyrimido[4,5-d]pyridazin-5-one
CID 71269180
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]piperidin-4-yl]benzamide
CID 14855051
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol (CID 67020615) is 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol is Cc1ccc(Oc2ccc(Nc3ncnc4[nH]nc(OCCN5CCC(O)CC5)c34)c(Cl)c2)cn1.
What is the InChIKey of 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
The InChIKey is FKIXBXWMIHTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O3/c1-15-2-3-18(13-26-15)35-17-4-5-20(19(25)12-17)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-16(33)7-9-32/h2-5,12-14,16,33H,6-11H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol has a molecular weight of 495.97 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[2-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 67020615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).