1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone

C25H29N5O — CID 159820291

IUPAC1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone
SMILESCN1CCC(C(=O)Cc2cc3cc(-c4cncc(N5CCCC5)c4)ccc3nn2)CC1
InChIInChI=1S/C25H29N5O/c1-29-10-6-18(7-11-29)25(31)15-22-13-20-12-19(4-5-24(20)28-27-22)21-14-23(17-26-16-21)30-8-2-3-9-30/h4-5,12-14,16-18H,2-3,6-11,15H2,1H3
InChIKeyNMDMGNGCCSBLAO-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.75
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone

1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone (PubChem CID 159820291) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone
PubChem CID159820291
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone
SMILESCN1CCC(C(=O)Cc2cc3cc(-c4cncc(N5CCCC5)c4)ccc3nn2)CC1
InChIInChI=1S/C25H29N5O/c1-29-10-6-18(7-11-29)25(31)15-22-13-20-12-19(4-5-24(20)28-27-22)21-14-23(17-26-16-21)30-8-2-3-9-30/h4-5,12-14,16-18H,2-3,6-11,15H2,1H3
InChIKeyNMDMGNGCCSBLAO-UHFFFAOYSA-N
XLogP3.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone (CID 159820291) is 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone is CN1CCC(C(=O)Cc2cc3cc(-c4cncc(N5CCCC5)c4)ccc3nn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone?
The InChIKey is NMDMGNGCCSBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-29-10-6-18(7-11-29)25(31)15-22-13-20-12-19(4-5-24(20)28-27-22)21-14-23(17-26-16-21)30-8-2-3-9-30/h4-5,12-14,16-18H,2-3,6-11,15H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone?
1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone has a molecular weight of 415.54 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 159820291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).