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

C24H30N4O2 — CID 71458662

IUPAC2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1C
InChIInChI=1S/C24H30N4O2/c1-15-11-19-20(14-26-27-21(19)12-22(15)30-5)17-10-16(2)23(25-13-17)28-8-6-18(7-9-28)24(3,4)29/h10-14,18,29H,6-9H2,1-5H3
InChIKeyTVAOFQHTQQEENM-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.30
Rot. Bonds4

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

2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (PubChem CID 71458662) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
PubChem CID71458662
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1C
InChIInChI=1S/C24H30N4O2/c1-15-11-19-20(14-26-27-21(19)12-22(15)30-5)17-10-16(2)23(25-13-17)28-8-6-18(7-9-28)24(3,4)29/h10-14,18,29H,6-9H2,1-5H3
InChIKeyTVAOFQHTQQEENM-UHFFFAOYSA-N
XLogP4.30
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (CID 71458662) is 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1C.
What is the InChIKey of 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The InChIKey is TVAOFQHTQQEENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-11-19-20(14-26-27-21(19)12-22(15)30-5)17-10-16(2)23(25-13-17)28-8-6-18(7-9-28)24(3,4)29/h10-14,18,29H,6-9H2,1-5H3.
What are the key properties of 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol has a molecular weight of 406.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(7-methoxy-6-methylcinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 71458662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).