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

C25H29N7O3 — CID 11712609

IUPAC1-[2-[[4-[3-methyl-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)cc2C)cn1
InChIInChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyLYCPWHYCBIEJPN-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.74
Rot. Bonds8

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

1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol (PubChem CID 11712609) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[2-[[4-[3-methyl-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-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol
PubChem CID11712609
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name1-[2-[[4-[3-methyl-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)cc2C)cn1
InChIInChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyLYCPWHYCBIEJPN-UHFFFAOYSA-N
XLogP3.74
TPSA121.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[3-methyl-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-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol (CID 11712609) is 1-[2-[[4-[3-methyl-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-[3-methyl-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-[3-methyl-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)cc2C)cn1.
What is the InChIKey of 1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
The InChIKey is LYCPWHYCBIEJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]piperidin-4-ol?
1-[2-[[4-[3-methyl-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 475.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[3-methyl-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 11712609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).