2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol

C25H32N4O2 — CID 71451479

IUPAC2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCCOc1cc2c(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)cnnc2cc1C
InChIInChI=1S/C25H32N4O2/c1-6-31-23-13-20-21(15-27-28-22(20)12-16(23)2)18-11-17(3)24(26-14-18)29-9-7-19(8-10-29)25(4,5)30/h11-15,19,30H,6-10H2,1-5H3
InChIKeyKDQOVORBKBCSNP-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.69
Rot. Bonds5

About 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol

2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (PubChem CID 71451479) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
PubChem CID71451479
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCCOc1cc2c(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)cnnc2cc1C
InChIInChI=1S/C25H32N4O2/c1-6-31-23-13-20-21(15-27-28-22(20)12-16(23)2)18-11-17(3)24(26-14-18)29-9-7-19(8-10-29)25(4,5)30/h11-15,19,30H,6-10H2,1-5H3
InChIKeyKDQOVORBKBCSNP-UHFFFAOYSA-N
XLogP4.69
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (CID 71451479) is 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is CCOc1cc2c(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)cnnc2cc1C.
What is the InChIKey of 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The InChIKey is KDQOVORBKBCSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-6-31-23-13-20-21(15-27-28-22(20)12-16(23)2)18-11-17(3)24(26-14-18)29-9-7-19(8-10-29)25(4,5)30/h11-15,19,30H,6-10H2,1-5H3.
What are the key properties of 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol has a molecular weight of 420.56 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(6-ethoxy-7-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 71451479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).