6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole

C21H20ClN5O2 — CID 170427119

IUPAC6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole
SMILESCOc1cc2c(-c3cnn(C4CCCCO4)c3)cn(-c3cccnn3)c2cc1Cl
InChIInChI=1S/C21H20ClN5O2/c1-28-19-9-15-16(14-11-24-27(12-14)21-6-2-3-8-29-21)13-26(18(15)10-17(19)22)20-5-4-7-23-25-20/h4-5,7,9-13,21H,2-3,6,8H2,1H3
InChIKeyYAWPIMVFTLHSJA-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.65
Rot. Bonds4

About 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole

6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole (PubChem CID 170427119) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole
PubChem CID170427119
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole
SMILESCOc1cc2c(-c3cnn(C4CCCCO4)c3)cn(-c3cccnn3)c2cc1Cl
InChIInChI=1S/C21H20ClN5O2/c1-28-19-9-15-16(14-11-24-27(12-14)21-6-2-3-8-29-21)13-26(18(15)10-17(19)22)20-5-4-7-23-25-20/h4-5,7,9-13,21H,2-3,6,8H2,1H3
InChIKeyYAWPIMVFTLHSJA-UHFFFAOYSA-N
XLogP4.65
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11625514
Ethyl 3-(3-(4-chloro-3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44225811
3-(4-Chloro-3-methoxyphenyl)-7-(8-ethyl-8-azabicyclo[3.2.1]oct-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 44226027
7-Chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464413
US20230391786, Example 152
CID 170795239
US20230391786, Example 341
CID 170795271
US20230391786, Example 342
CID 170795272
US10172858, Table 2.29
CID 136088578
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-dimethylpyrrolo[2,3-d]pyridazin-4-amine
CID 141134557
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-methyl-6H-pyrrolo[3,4-d]pyridazin-4-amine
CID 143506921
6-chloro-7-fluoro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole
CID 164549318
6-Chloro-7-fluoro-5-methoxy-2-[1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1-methyl-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 167136804

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole?
The IUPAC name of 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole (CID 170427119) is 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole.
What is the SMILES notation for 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole?
The canonical SMILES for 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole is COc1cc2c(-c3cnn(C4CCCCO4)c3)cn(-c3cccnn3)c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole?
The InChIKey is YAWPIMVFTLHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-28-19-9-15-16(14-11-24-27(12-14)21-6-2-3-8-29-21)13-26(18(15)10-17(19)22)20-5-4-7-23-25-20/h4-5,7,9-13,21H,2-3,6,8H2,1H3.
What are the key properties of 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole?
6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole has a molecular weight of 409.88 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-pyridazin-3-ylindole is sourced from PubChem (CID 170427119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).