1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone

C20H18N6O2 — CID 167948450

IUPAC1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cnn3ncccc23)CC1
InChIInChI=1S/C20H18N6O2/c27-19(15-13-22-26-18(15)6-3-7-21-26)24-8-10-25(11-9-24)20(28)17-12-14-4-1-2-5-16(14)23-17/h1-7,12-13,23H,8-11H2
InChIKeyYMCYIIKZRIZGAC-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.81
Rot. Bonds2

About 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone

1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 167948450) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID167948450
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cnn3ncccc23)CC1
InChIInChI=1S/C20H18N6O2/c27-19(15-13-22-26-18(15)6-3-7-21-26)24-8-10-25(11-9-24)20(28)17-12-14-4-1-2-5-16(14)23-17/h1-7,12-13,23H,8-11H2
InChIKeyYMCYIIKZRIZGAC-UHFFFAOYSA-N
XLogP1.81
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 71797895
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7015548
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone (CID 167948450) is 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2cnn3ncccc23)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YMCYIIKZRIZGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(15-13-22-26-18(15)6-3-7-21-26)24-8-10-25(11-9-24)20(28)17-12-14-4-1-2-5-16(14)23-17/h1-7,12-13,23H,8-11H2.
What are the key properties of 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(pyrazolo[1,5-b]pyridazine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 167948450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).