[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol

C17H14ClN5O2 — CID 170427699

IUPAC[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol
SMILESCOc1cc2c(-c3cn[nH]c3)cn(-c3ccc(CO)nn3)c2cc1Cl
InChIInChI=1S/C17H14ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-8,24H,9H2,1H3,(H,19,20)
InChIKeyGZZWDEPGZJYCJD-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.96
Rot. Bonds4

About [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol

[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol (PubChem CID 170427699) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol
PubChem CID170427699
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol
SMILESCOc1cc2c(-c3cn[nH]c3)cn(-c3ccc(CO)nn3)c2cc1Cl
InChIInChI=1S/C17H14ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-8,24H,9H2,1H3,(H,19,20)
InChIKeyGZZWDEPGZJYCJD-UHFFFAOYSA-N
XLogP2.96
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US20230391786, Example 152
CID 170795239
US20230391786, Example 341
CID 170795271
US20230391786, Example 342
CID 170795272
US12404261, Example 63
CID 164549121
US12404261, Example 72
CID 164549122
US12404261, Example 75
CID 164549136
US12404261, Example 81
CID 164549147
US12404261, Example 90
CID 164549185
US12404261, Example 59
CID 164549187
US12404261, Example 70
CID 164549188
US12404261, Example 66
CID 164549228
US12404261, Example 64
CID 164549259

Frequently Asked Questions

What is the IUPAC name of [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol?
The IUPAC name of [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol (CID 170427699) is [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol is COc1cc2c(-c3cn[nH]c3)cn(-c3ccc(CO)nn3)c2cc1Cl.
What is the InChIKey of [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol?
The InChIKey is GZZWDEPGZJYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-25-16-4-12-13(10-6-19-20-7-10)8-23(15(12)5-14(16)18)17-3-2-11(9-24)21-22-17/h2-8,24H,9H2,1H3,(H,19,20).
What are the key properties of [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol?
[6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol has a molecular weight of 355.79 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-chloro-5-methoxy-3-(1H-pyrazol-4-yl)indol-1-yl]pyridazin-3-yl]methanol is sourced from PubChem (CID 170427699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).