[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H24N6O2 — CID 95750435

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c(C)nn1C
InChIInChI=1S/C17H24N6O2/c1-11-15(17(25-5)22(4)20-11)13-7-6-10-23(13)16(24)12-8-9-14(19-18-12)21(2)3/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyAIOIPWUSBROFKE-ZDUSSCGKSA-N
MW344.42 g/mol
LogP1.57
Rot. Bonds4

About [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95750435) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95750435
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c(C)nn1C
InChIInChI=1S/C17H24N6O2/c1-11-15(17(25-5)22(4)20-11)13-7-6-10-23(13)16(24)12-8-9-14(19-18-12)21(2)3/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyAIOIPWUSBROFKE-ZDUSSCGKSA-N
XLogP1.57
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736113
[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 97001743
(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736031
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95736080
(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95736035
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95750435) is [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is COc1c([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nn2)c(C)nn1C.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AIOIPWUSBROFKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-15(17(25-5)22(4)20-11)13-7-6-10-23(13)16(24)12-8-9-14(19-18-12)21(2)3/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95750435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).