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

C24H30N4O3 — CID 25196602

IUPAC2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
InChIKeyPPAWFHDEPAUENY-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.00
Rot. Bonds5

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

2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (PubChem CID 25196602) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
PubChem CID25196602
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
InChIKeyPPAWFHDEPAUENY-UHFFFAOYSA-N
XLogP4.00
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol (CID 25196602) is 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC.
What is the InChIKey of 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
The InChIKey is PPAWFHDEPAUENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3.
What are the key properties of 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol?
2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol has a molecular weight of 422.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 25196602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).