4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one

C26H27N5O2 — CID 86271703

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C26H27N5O2/c1-16-8-9-19(17(2)28-16)14-27-24-13-25(30-31(3)26(24)32)33-15-20-12-21(20)23-11-10-18-6-4-5-7-22(18)29-23/h4-11,13,20-21,27H,12,14-15H2,1-3H3/t20-,21+/m1/s1
InChIKeyAYNYYOJTOMIPBM-RTWAWAEBSA-N
MW441.54 g/mol
LogP4.13
Rot. Bonds7

About 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one

4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one (PubChem CID 86271703) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one
PubChem CID86271703
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C26H27N5O2/c1-16-8-9-19(17(2)28-16)14-27-24-13-25(30-31(3)26(24)32)33-15-20-12-21(20)23-11-10-18-6-4-5-7-22(18)29-23/h4-11,13,20-21,27H,12,14-15H2,1-3H3/t20-,21+/m1/s1
InChIKeyAYNYYOJTOMIPBM-RTWAWAEBSA-N
XLogP4.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one (CID 86271703) is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is AYNYYOJTOMIPBM-RTWAWAEBSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16-8-9-19(17(2)28-16)14-27-24-13-25(30-31(3)26(24)32)33-15-20-12-21(20)23-11-10-18-6-4-5-7-22(18)29-23/h4-11,13,20-21,27H,12,14-15H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 441.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 86271703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).