2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

C22H25N7O2 — CID 90419162

IUPAC2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1
InChIInChI=1S/C22H25N7O2/c1-27-12-14(11-24-27)10-23-18-9-20(25-29(3)22(18)30)31-13-15-8-17(15)21-16-6-4-5-7-19(16)28(2)26-21/h4-7,9,11-12,15,17,23H,8,10,13H2,1-3H3/t15-,17+/m0/s1
InChIKeyIKXWASVOIIOHNI-DOTOQJQBSA-N
MW419.49 g/mol
LogP2.20
Rot. Bonds7

About 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 90419162) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID90419162
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1
InChIInChI=1S/C22H25N7O2/c1-27-12-14(11-24-27)10-23-18-9-20(25-29(3)22(18)30)31-13-15-8-17(15)21-16-6-4-5-7-19(16)28(2)26-21/h4-7,9,11-12,15,17,23H,8,10,13H2,1-3H3/t15-,17+/m0/s1
InChIKeyIKXWASVOIIOHNI-DOTOQJQBSA-N
XLogP2.20
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 90419162) is 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is Cn1cc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1.
What is the InChIKey of 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is IKXWASVOIIOHNI-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-27-12-14(11-24-27)10-23-18-9-20(25-29(3)22(18)30)31-13-15-8-17(15)21-16-6-4-5-7-19(16)28(2)26-21/h4-7,9,11-12,15,17,23H,8,10,13H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 419.49 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1R,2R)-2-(1-methylindazol-3-yl)cyclopropyl]methoxy]-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 90419162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).