2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide

C21H24N6O3 — CID 86270861

IUPAC2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cc(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H24N6O3/c1-12-5-6-16(22-10-12)15-8-14(15)11-30-19-9-17(21(29)27(4)25-19)23-20(28)18-7-13(2)24-26(18)3/h5-7,9-10,14-15H,8,11H2,1-4H3,(H,23,28)/t14-,15+/m1/s1
InChIKeyFYZIVIWTMFEACT-CABCVRRESA-N
MW408.46 g/mol
LogP1.96
Rot. Bonds6

About 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide (PubChem CID 86270861) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide
PubChem CID86270861
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cc(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H24N6O3/c1-12-5-6-16(22-10-12)15-8-14(15)11-30-19-9-17(21(29)27(4)25-19)23-20(28)18-7-13(2)24-26(18)3/h5-7,9-10,14-15H,8,11H2,1-4H3,(H,23,28)/t14-,15+/m1/s1
InChIKeyFYZIVIWTMFEACT-CABCVRRESA-N
XLogP1.96
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide (CID 86270861) is 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide is Cc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cc(C)nn3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide?
The InChIKey is FYZIVIWTMFEACT-CABCVRRESA-N. The full InChI is InChI=1S/C21H24N6O3/c1-12-5-6-16(22-10-12)15-8-14(15)11-30-19-9-17(21(29)27(4)25-19)23-20(28)18-7-13(2)24-26(18)3/h5-7,9-10,14-15H,8,11H2,1-4H3,(H,23,28)/t14-,15+/m1/s1.
What are the key properties of 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-3-oxopyridazin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 86270861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).