6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

C19H21ClN6O2 — CID 90454398

IUPAC6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)cn1
InChIInChI=1S/C19H21ClN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyIYEQXKZLSQTBQP-HIFRSBDPSA-N
MW400.87 g/mol
LogP2.36
Rot. Bonds7

About 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one

6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 90454398) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID90454398
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)cn1
InChIInChI=1S/C19H21ClN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyIYEQXKZLSQTBQP-HIFRSBDPSA-N
XLogP2.36
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 90454398) is 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)cn1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is IYEQXKZLSQTBQP-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 400.87 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 90454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).